trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol

C11H19N3O — CID 94580410

IUPACtrans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CN[C@H]2CCCC[C@@H]2O)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-12-6-9(14-8)7-13-10-4-2-3-5-11(10)15/h6,10-11,13,15H,2-5,7H2,1H3,(H,12,14)/t10-,11-/m0/s1
InChIKeyLBYXTHCOEKOQNW-QWRGUYRKSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds3

About trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 94580410) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID94580410
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nametrans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CN[C@H]2CCCC[C@@H]2O)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-12-6-9(14-8)7-13-10-4-2-3-5-11(10)15/h6,10-11,13,15H,2-5,7H2,1H3,(H,12,14)/t10-,11-/m0/s1
InChIKeyLBYXTHCOEKOQNW-QWRGUYRKSA-N
XLogP1.11
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol
CID 14888769
N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride
CID 21144688
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
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
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62742176
1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol
CID 103731609
rac-(3R,4R)-1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-fluoropyrrolidin-3-ol
CID 131943293
(3R*,4R*)-1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(4-methyl-1-piperazinyl)-3-piperidinol
CID 28955437
(3'R*,4'R*)-1'-[(2-butyl-1H-imidazol-4-yl)methyl]-1,4'-bipiperidine-3',4-diol
CID 42512052
(2R*,4S*)-1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50961106

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol (CID 94580410) is trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol is Cc1ncc(CN[C@H]2CCCC[C@@H]2O)[nH]1.
What is the InChIKey of trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is LBYXTHCOEKOQNW-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-12-6-9(14-8)7-13-10-4-2-3-5-11(10)15/h6,10-11,13,15H,2-5,7H2,1H3,(H,12,14)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 94580410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).