[3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol

C12H21N3O — CID 62527055

IUPAC[3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nccn2C)C1
InChIInChI=1S/C12H21N3O/c1-10-4-3-5-12(8-10,9-16)14-11-13-6-7-15(11)2/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyYBCZEORBOCBPPU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds3

About [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol

[3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol (PubChem CID 62527055) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol
PubChem CID62527055
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nccn2C)C1
InChIInChI=1S/C12H21N3O/c1-10-4-3-5-12(8-10,9-16)14-11-13-6-7-15(11)2/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyYBCZEORBOCBPPU-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 62522399
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-3-methylcyclohexyl]methanol
CID 62552690
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylcyclohexyl]methanol
CID 62553353
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol
CID 111440270
[3,3,5-Trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 111440276
1-Cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol
CID 13289772
(2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol
CID 18634261
(2S,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol
CID 18634266

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol (CID 62527055) is [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol is CC1CCCC(CO)(Nc2nccn2C)C1.
What is the InChIKey of [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol?
The InChIKey is YBCZEORBOCBPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-4-3-5-12(8-10,9-16)14-11-13-6-7-15(11)2/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,13,14).
What are the key properties of [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol?
[3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-methylimidazol-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62527055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).