N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine

C14H22N2 — CID 21279072

IUPACN-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
SMILESCC(NCC1CCCCC1)c1ccccn1
InChIInChI=1S/C14H22N2/c1-12(14-9-5-6-10-15-14)16-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3
InChIKeyJLBVEPPASSDIBY-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.31
Rot. Bonds4

About N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine

N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine (PubChem CID 21279072) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
PubChem CID21279072
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
SMILESCC(NCC1CCCCC1)c1ccccn1
InChIInChI=1S/C14H22N2/c1-12(14-9-5-6-10-15-14)16-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3
InChIKeyJLBVEPPASSDIBY-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
CID 102897622
tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 71633609
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine
CID 103276961
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine (CID 21279072) is N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine is CC(NCC1CCCCC1)c1ccccn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine?
The InChIKey is JLBVEPPASSDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(14-9-5-6-10-15-14)16-11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine?
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 21279072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).