| CAS Number | 1017474-41-7 |
| Catalog Number | AG008VBL(AGN-PC-0WONHE) |
| Chemical Name | 1-(1-tert-Butylpyrrolidin-3-yl)methanamine |
| IUPAC Name | (1-tert-butylpyrrolidin-3-yl)methanamine |
| InChI | InChI=1S/C9H20N2/c1-9(2,3)11-5-4-8(6-10)7-11/h8H,4-7,10H2,1-3H3 |
| InChI Key | VEEMPJFRZBKMQS-UHFFFAOYSA-N |
| MDL Number | MFCD09937656 |
| Molecular Formula | C9H20N2 |
| Molecular Weight | 156.2685 |
| SMILES | CC(C)(C)N1CCC(CN)C1 |
| Synonyms | 1017474-41-7,
(1-(tert-Butyl)pyrrolidin-3-yl)methanamine,
SCHEMBL730979,
AKOS000180606,
AKOS022185242,
MCULE-1134620325,
(1-tert-butylpyrrolidin-3-yl)methanamine,
1-(1-tert-butyl-3-pyrrolidinyl)methanamine,
Y-6015,
1-(1-tert-butylpyrrolidin-3-yl)methanamine(SALTDATA,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.273g/mol |
| Monoisotopic Mass | 156.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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