[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone

C18H26N2O — CID 125135133

IUPAC[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C18H26N2O/c1-13-17(14-6-3-2-4-7-14)10-11-20(13)18(21)15-8-5-9-16(19)12-15/h2-4,6-7,13,15-17H,5,8-12,19H2,1H3/t13-,15+,16-,17-/m1/s1
InChIKeyBNDCUQWPAQAODP-XLNGHYISSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds2

About [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone

[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone (PubChem CID 125135133) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
PubChem CID125135133
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C18H26N2O/c1-13-17(14-6-3-2-4-7-14)10-11-20(13)18(21)15-8-5-9-16(19)12-15/h2-4,6-7,13,15-17H,5,8-12,19H2,1H3/t13-,15+,16-,17-/m1/s1
InChIKeyBNDCUQWPAQAODP-XLNGHYISSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119807327
(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
CID 119805710
(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 119337130
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
(1-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119337122
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
(3-aminocyclohexyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119896962
(3-aminocyclohexyl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119684254
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124686929
(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119796649

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone (CID 125135133) is [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone is C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
The InChIKey is BNDCUQWPAQAODP-XLNGHYISSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-17(14-6-3-2-4-7-14)10-11-20(13)18(21)15-8-5-9-16(19)12-15/h2-4,6-7,13,15-17H,5,8-12,19H2,1H3/t13-,15+,16-,17-/m1/s1.
What are the key properties of [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 125135133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).