[3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol

C13H23N3O — CID 66118768

IUPAC[3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cncn2C)C1
InChIInChI=1S/C13H23N3O/c1-11-4-3-5-13(6-11,9-17)15-8-12-7-14-10-16(12)2/h7,10-11,15,17H,3-6,8-9H2,1-2H3
InChIKeyNHASWILLSBKVNN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.45
Rot. Bonds4

About [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 66118768) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID66118768
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cncn2C)C1
InChIInChI=1S/C13H23N3O/c1-11-4-3-5-13(6-11,9-17)15-8-12-7-14-10-16(12)2/h7,10-11,15,17H,3-6,8-9H2,1-2H3
InChIKeyNHASWILLSBKVNN-UHFFFAOYSA-N
XLogP1.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol
CID 14888769
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
4-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]-1-methylcyclohexan-1-ol
CID 137997809
2-Hydroxy-1-(4-methylimidazol-1-yl)-N-methylcyclohexanecarbothioamide
CID 19972905
3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol
CID 118173692
trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol
CID 172725977
[3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol
CID 55114223
[3-Methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 55153846
[1-[(1-Ethylimidazol-2-yl)amino]-3-methylcyclohexyl]methanol
CID 62525347
[3-Methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol
CID 62527055
[3-Methyl-1-[(1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 62552338
[1-[(1-Ethylimidazol-2-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62552492

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol (CID 66118768) is [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCc2cncn2C)C1.
What is the InChIKey of [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is NHASWILLSBKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-4-3-5-13(6-11,9-17)15-8-12-7-14-10-16(12)2/h7,10-11,15,17H,3-6,8-9H2,1-2H3.
What are the key properties of [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 66118768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).