N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine

C14H22N2 — CID 80525156

IUPACN-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
SMILESCCNCC1(c2ccncc2)CCCCC1
InChIInChI=1S/C14H22N2/c1-2-15-12-14(8-4-3-5-9-14)13-6-10-16-11-7-13/h6-7,10-11,15H,2-5,8-9,12H2,1H3
InChIKeyIMTFJNVBSWAONI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.89
Rot. Bonds4

About N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine

N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine (PubChem CID 80525156) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
PubChem CID80525156
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
SMILESCCNCC1(c2ccncc2)CCCCC1
InChIInChI=1S/C14H22N2/c1-2-15-12-14(8-4-3-5-9-14)13-6-10-16-11-7-13/h6-7,10-11,15H,2-5,8-9,12H2,1H3
InChIKeyIMTFJNVBSWAONI-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525440
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
CID 63511415
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
CID 80523825
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide
CID 86798605
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine
CID 80525238
N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine
CID 80522715
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine (CID 80525156) is N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine is CCNCC1(c2ccncc2)CCCCC1.
What is the InChIKey of N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine?
The InChIKey is IMTFJNVBSWAONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-15-12-14(8-4-3-5-9-14)13-6-10-16-11-7-13/h6-7,10-11,15H,2-5,8-9,12H2,1H3.
What are the key properties of N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine?
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 80525156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).