1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C12H21N3O — CID 63001303

IUPAC1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cncc1CNCC1(O)CCCCC1
InChIInChI=1S/C12H21N3O/c1-15-10-14-8-11(15)7-13-9-12(16)5-3-2-4-6-12/h8,10,13,16H,2-7,9H2,1H3
InChIKeySDKJEUMNRNORFB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

About 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 63001303) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID63001303
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cncc1CNCC1(O)CCCCC1
InChIInChI=1S/C12H21N3O/c1-15-10-14-8-11(15)7-13-9-12(16)5-3-2-4-6-12/h8,10,13,16H,2-7,9H2,1H3
InChIKeySDKJEUMNRNORFB-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]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol
CID 14888769
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CID 70770604
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
(4aS*,8aS*)-2-[(1-methyl-1H-imidazol-5-yl)methyl]octahydroisoquinolin-4a(2H)-ol
CID 77093158
(3R,4R)-1-[(3-cyclohexylimidazol-4-yl)methyl]-3,4-dimethylpyrrolidin-3-ol
CID 86283114
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
1-{2-[[(1,2-dimethyl-1H-imidazol-5-yl)methyl](methyl)amino]ethyl}cyclopentanol
CID 129624712
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
1-[(2'-butyl-1H,1'H-2,4'-biimidazol-1-yl)methyl]cyclohexanol
CID 56867054
3-[(4-Methylimidazol-1-yl)methyl]piperidin-3-ol
CID 18712990

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 63001303) is 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is Cn1cncc1CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is SDKJEUMNRNORFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-10-14-8-11(15)7-13-9-12(16)5-3-2-4-6-12/h8,10,13,16H,2-7,9H2,1H3.
What are the key properties of 1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63001303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).