3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine

C14H22N2 — CID 81402334

IUPAC3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2ccccn2)C1
InChIInChI=1S/C14H22N2/c1-11-6-5-7-13(10-11)16-12(2)14-8-3-4-9-15-14/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeyCZWVMOUCZIFPTP-CPCZMJQVSA-N
MW218.34 g/mol
LogP3.31
Rot. Bonds3

About 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine

3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine (PubChem CID 81402334) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
PubChem CID81402334
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2ccccn2)C1
InChIInChI=1S/C14H22N2/c1-11-6-5-7-13(10-11)16-12(2)14-8-3-4-9-15-14/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeyCZWVMOUCZIFPTP-CPCZMJQVSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
3,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401419
3,4-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81399472
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81401806
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine (CID 81402334) is 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine is CC1CCCC(N[C@@H](C)c2ccccn2)C1.
What is the InChIKey of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The InChIKey is CZWVMOUCZIFPTP-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-6-5-7-13(10-11)16-12(2)14-8-3-4-9-15-14/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11?,12-,13?/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 81402334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).