trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol

C11H19N3O — CID 172725977

IUPACtrans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCn1cnc(CN[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C11H19N3O/c1-14-7-9(13-8-14)6-12-10-4-2-3-5-11(10)15/h7-8,10-12,15H,2-6H2,1H3/t10-,11-/m0/s1
InChIKeyHDQNOYGFTORBJM-QWRGUYRKSA-N
MW209.29 g/mol
LogP0.81
Rot. Bonds3

About trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 172725977) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID172725977
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nametrans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCn1cnc(CN[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C11H19N3O/c1-14-7-9(13-8-14)6-12-10-4-2-3-5-11(10)15/h7-8,10-12,15H,2-6H2,1H3/t10-,11-/m0/s1
InChIKeyHDQNOYGFTORBJM-QWRGUYRKSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carbothioic acid amide
CID 14888768
1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxamidine
CID 14888766
3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol
CID 14888769
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 98323777
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
CID 119039399
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
trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 138000236
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
N-[(3-methylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 63001893
N-[(3-ethylimidazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 66134222

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol (CID 172725977) is trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol is Cn1cnc(CN[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is HDQNOYGFTORBJM-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-7-9(13-8-14)6-12-10-4-2-3-5-11(10)15/h7-8,10-12,15H,2-6H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 172725977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).