[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol

C14H22N2O — CID 81237882

IUPAC[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
SMILESCC1CCCCC1N(C)c1ccncc1CO
InChIInChI=1S/C14H22N2O/c1-11-5-3-4-6-13(11)16(2)14-7-8-15-9-12(14)10-17/h7-9,11,13,17H,3-6,10H2,1-2H3
InChIKeyIHLCCLKBBXLYJG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.59
Rot. Bonds3

About [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol

[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol (PubChem CID 81237882) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
PubChem CID81237882
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
SMILESCC1CCCCC1N(C)c1ccncc1CO
InChIInChI=1S/C14H22N2O/c1-11-5-3-4-6-13(11)16(2)14-7-8-15-9-12(14)10-17/h7-9,11,13,17H,3-6,10H2,1-2H3
InChIKeyIHLCCLKBBXLYJG-UHFFFAOYSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol (CID 81237882) is [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol is CC1CCCCC1N(C)c1ccncc1CO.
What is the InChIKey of [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
The InChIKey is IHLCCLKBBXLYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-3-4-6-13(11)16(2)14-7-8-15-9-12(14)10-17/h7-9,11,13,17H,3-6,10H2,1-2H3.
What are the key properties of [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 81237882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).