[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol

C17H28N2O2 — CID 62551679

IUPAC[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCOc1c(C)cnc(CNC2(CO)CCCC(C)C2)c1C
InChIInChI=1S/C17H28N2O2/c1-12-6-5-7-17(8-12,11-20)19-10-15-14(3)16(21-4)13(2)9-18-15/h9,12,19-20H,5-8,10-11H2,1-4H3
InChIKeyXMTXMDSOJGICNY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.74
Rot. Bonds5

About [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol

[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 62551679) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID62551679
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCOc1c(C)cnc(CNC2(CO)CCCC(C)C2)c1C
InChIInChI=1S/C17H28N2O2/c1-12-6-5-7-17(8-12,11-20)19-10-15-14(3)16(21-4)13(2)9-18-15/h9,12,19-20H,5-8,10-11H2,1-4H3
InChIKeyXMTXMDSOJGICNY-UHFFFAOYSA-N
XLogP2.74
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3,5-dibromo-4-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62552336
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144892
[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
CID 113483028
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62551641
[1-[(1-ethylimidazol-2-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62552492
methyl 5-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]furan-2-carboxylate
CID 62551826

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol (CID 62551679) is [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol is COc1c(C)cnc(CNC2(CO)CCCC(C)C2)c1C.
What is the InChIKey of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is XMTXMDSOJGICNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-6-5-7-17(8-12,11-20)19-10-15-14(3)16(21-4)13(2)9-18-15/h9,12,19-20H,5-8,10-11H2,1-4H3.
What are the key properties of [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 292.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62551679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).