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

C12H21N3O — CID 66118766

IUPAC[1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCn1cncc1CNC1(CO)CCCCC1
InChIInChI=1S/C12H21N3O/c1-15-10-13-7-11(15)8-14-12(9-16)5-3-2-4-6-12/h7,10,14,16H,2-6,8-9H2,1H3
InChIKeyACENULWQAAONII-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

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

[1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 66118766) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID66118766
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCn1cncc1CNC1(CO)CCCCC1
InChIInChI=1S/C12H21N3O/c1-15-10-13-7-11(15)8-14-12(9-16)5-3-2-4-6-12/h7,10,14,16H,2-6,8-9H2,1H3
InChIKeyACENULWQAAONII-UHFFFAOYSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol with MolForge

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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
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 99939521
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
4-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]-1-methylcyclohexan-1-ol
CID 137997809
5-[[[(1S,2S)-2-methoxycyclohexyl]amino]methyl]-N,N,1-trimethylimidazol-2-amine
CID 137998792
(4,4-Difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
CID 174754336
2-Hydroxy-1-(4-methylimidazol-1-yl)-N-methylcyclohexanecarbothioamide
CID 19972905
trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
CID 94580410
3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol
CID 118173692
3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
CID 128570271

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol (CID 66118766) is [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol is Cn1cncc1CNC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is ACENULWQAAONII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-10-13-7-11(15)8-14-12(9-16)5-3-2-4-6-12/h7,10,14,16H,2-6,8-9H2,1H3.
What are the key properties of [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol?
[1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 66118766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).