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

C14H22N2O — CID 81401608

IUPAC3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
SMILESCOC1CCCC(N[C@@H](C)c2ccccn2)C1
InChIInChI=1S/C14H22N2O/c1-11(14-8-3-4-9-15-14)16-12-6-5-7-13(10-12)17-2/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11-,12?,13?/m0/s1
InChIKeyGODFWMRGYOTNSI-HIFPTAJRSA-N
MW234.34 g/mol
LogP2.69
Rot. Bonds4

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

3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine (PubChem CID 81401608) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
PubChem CID81401608
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
SMILESCOC1CCCC(N[C@@H](C)c2ccccn2)C1
InChIInChI=1S/C14H22N2O/c1-11(14-8-3-4-9-15-14)16-12-6-5-7-13(10-12)17-2/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11-,12?,13?/m0/s1
InChIKeyGODFWMRGYOTNSI-HIFPTAJRSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
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
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81401806
3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 112554444
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
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
CID 115893628

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine (CID 81401608) is 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine is COC1CCCC(N[C@@H](C)c2ccccn2)C1.
What is the InChIKey of 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
The InChIKey is GODFWMRGYOTNSI-HIFPTAJRSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(14-8-3-4-9-15-14)16-12-6-5-7-13(10-12)17-2/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11-,12?,13?/m0/s1.
What are the key properties of 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine?
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 81401608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).