(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine

C12H24N2 — CID 124708701

IUPAC(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
SMILESC[C@@H]1CCCC[C@@H]1N[C@H]1CCN(C)C1
InChIInChI=1S/C12H24N2/c1-10-5-3-4-6-12(10)13-11-7-8-14(2)9-11/h10-13H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyAQCPTRVYDDJKJY-WOPDTQHZSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine

(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine (PubChem CID 124708701) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
PubChem CID124708701
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
SMILESC[C@@H]1CCCC[C@@H]1N[C@H]1CCN(C)C1
InChIInChI=1S/C12H24N2/c1-10-5-3-4-6-12(10)13-11-7-8-14(2)9-11/h10-13H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyAQCPTRVYDDJKJY-WOPDTQHZSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(2-methylcyclopentyl)pyrrolidin-3-amine
CID 63278241
1-methyl-N-(2-methylcyclobutyl)piperidin-3-amine
CID 126973384
1-methyl-N-(2-methylcyclopentyl)azepan-4-amine
CID 65075133
2-[(1-methylpyrrolidin-3-yl)amino]cyclohexan-1-ol
CID 61462250
N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine
CID 63996461
1-methyl-N-(2-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 81344224
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
N-(2-methylcyclopentyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63277763
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
CID 124710062
1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine (CID 124708701) is (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine is C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(C)C1.
What is the InChIKey of (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine?
The InChIKey is AQCPTRVYDDJKJY-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-5-3-4-6-12(10)13-11-7-8-14(2)9-11/h10-13H,3-9H2,1-2H3/t10-,11+,12+/m1/s1.
What are the key properties of (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine?
(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine is sourced from PubChem (CID 124708701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).