[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol

C15H24N2O — CID 79074201

IUPAC[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol
SMILESCC1CCC(C(O)c2cccnc2)(N(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-12-6-8-15(9-7-12,17(2)3)14(18)13-5-4-10-16-11-13/h4-5,10-12,14,18H,6-9H2,1-3H3
InChIKeyHWEQFOIXGRGUEI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds3

About [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol

[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol (PubChem CID 79074201) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol
PubChem CID79074201
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol
SMILESCC1CCC(C(O)c2cccnc2)(N(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-12-6-8-15(9-7-12,17(2)3)14(18)13-5-4-10-16-11-13/h4-5,10-12,14,18H,6-9H2,1-3H3
InChIKeyHWEQFOIXGRGUEI-UHFFFAOYSA-N
XLogP2.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,4-trimethyl-1-[propylamino(pyridin-3-yl)methyl]cyclohexan-1-amine
CID 79062325
1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 104736535
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 79074868
[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethoxyphenyl)methanol
CID 79061631
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836352
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
CID 79074735
[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol
CID 79075090
2-cyclopropyl-2-methoxy-1-pyridin-3-ylethanol
CID 116712495
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
CID 79135100
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol?
The IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol (CID 79074201) is [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol is CC1CCC(C(O)c2cccnc2)(N(C)C)CC1.
What is the InChIKey of [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol?
The InChIKey is HWEQFOIXGRGUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-8-15(9-7-12,17(2)3)14(18)13-5-4-10-16-11-13/h4-5,10-12,14,18H,6-9H2,1-3H3.
What are the key properties of [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol?
[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol has a molecular weight of 248.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol is sourced from PubChem (CID 79074201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).