[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone

C13H18N2O — CID 116601749

IUPAC[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
SMILESNCc1cc(C(=O)C2CCCCC2)ccn1
InChIInChI=1S/C13H18N2O/c14-9-12-8-11(6-7-15-12)13(16)10-4-2-1-3-5-10/h6-8,10H,1-5,9,14H2
InChIKeyISWATAMWBQSOSA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.30
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone

[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone (PubChem CID 116601749) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
PubChem CID116601749
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
SMILESNCc1cc(C(=O)C2CCCCC2)ccn1
InChIInChI=1S/C13H18N2O/c14-9-12-8-11(6-7-15-12)13(16)10-4-2-1-3-5-10/h6-8,10H,1-5,9,14H2
InChIKeyISWATAMWBQSOSA-UHFFFAOYSA-N
XLogP2.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
CID 113277656
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601990
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone (CID 116601749) is [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone is NCc1cc(C(=O)C2CCCCC2)ccn1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone?
The InChIKey is ISWATAMWBQSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-9-12-8-11(6-7-15-12)13(16)10-4-2-1-3-5-10/h6-8,10H,1-5,9,14H2.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone?
[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone has a molecular weight of 218.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone is sourced from PubChem (CID 116601749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).