2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine

C19H30N2 — CID 114954883

IUPAC2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1ccncc1CNC1CCCCC1C1CCCCC1
InChIInChI=1S/C19H30N2/c1-15-11-12-20-13-17(15)14-21-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h11-13,16,18-19,21H,2-10,14H2,1H3
InChIKeyGFDLILIJTNSEMQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.62
Rot. Bonds4

About 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine

2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 114954883) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID114954883
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1ccncc1CNC1CCCCC1C1CCCCC1
InChIInChI=1S/C19H30N2/c1-15-11-12-20-13-17(15)14-21-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h11-13,16,18-19,21H,2-10,14H2,1H3
InChIKeyGFDLILIJTNSEMQ-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 174900275
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 114544009
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284102
2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114698819
3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 114955168
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
CID 114331396
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine (CID 114954883) is 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine is Cc1ccncc1CNC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is GFDLILIJTNSEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-11-12-20-13-17(15)14-21-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h11-13,16,18-19,21H,2-10,14H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine?
2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114954883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).