[3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol

C13H23N3O — CID 55114223

IUPAC[3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol
SMILESCc1ncc(CNC2(CO)CCCC(C)C2)[nH]1
InChIInChI=1S/C13H23N3O/c1-10-4-3-5-13(6-10,9-17)15-8-12-7-14-11(2)16-12/h7,10,15,17H,3-6,8-9H2,1-2H3,(H,14,16)
InChIKeyGGZXKLIQRNYYAE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.75
Rot. Bonds4

About [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol (PubChem CID 55114223) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol
PubChem CID55114223
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol
SMILESCc1ncc(CNC2(CO)CCCC(C)C2)[nH]1
InChIInChI=1S/C13H23N3O/c1-10-4-3-5-13(6-10,9-17)15-8-12-7-14-11(2)16-12/h7,10,15,17H,3-6,8-9H2,1-2H3,(H,14,16)
InChIKeyGGZXKLIQRNYYAE-UHFFFAOYSA-N
XLogP1.75
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
[2-(cyclohexylmethyl)-1H-imidazol-5-yl]methanol
CID 57261900
trans-(1S,2S)-2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
CID 94580410
4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-ol
CID 116881263
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
1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol
CID 139383776
N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine
CID 55177673
[1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62550951
2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
CID 62741263
4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
CID 62741581
4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 62741629

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol (CID 55114223) is [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol is Cc1ncc(CNC2(CO)CCCC(C)C2)[nH]1.
What is the InChIKey of [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol?
The InChIKey is GGZXKLIQRNYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-4-3-5-13(6-10,9-17)15-8-12-7-14-11(2)16-12/h7,10,15,17H,3-6,8-9H2,1-2H3,(H,14,16).
What are the key properties of [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 55114223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).