[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol

C15H27N3O — CID 55153846

IUPAC[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol
SMILESCCCn1ccnc1CNC1(CO)CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-3-8-18-9-7-16-14(18)11-17-15(12-19)6-4-5-13(2)10-15/h7,9,13,17,19H,3-6,8,10-12H2,1-2H3
InChIKeyZFVPWACZAXHMOR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.32
Rot. Bonds6

About [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 55153846) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol
PubChem CID55153846
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol
SMILESCCCn1ccnc1CNC1(CO)CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-3-8-18-9-7-16-14(18)11-17-15(12-19)6-4-5-13(2)10-15/h7,9,13,17,19H,3-6,8,10-12H2,1-2H3
InChIKeyZFVPWACZAXHMOR-UHFFFAOYSA-N
XLogP2.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
CID 119039399
(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
CID 164629868
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
CID 61246140
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
CID 62517050
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 62522399
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-3-methylcyclohexyl]methanol
CID 62552690
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylcyclohexyl]methanol
CID 62553353

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol (CID 55153846) is [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol is CCCn1ccnc1CNC1(CO)CCCC(C)C1.
What is the InChIKey of [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is ZFVPWACZAXHMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-18-9-7-16-14(18)11-17-15(12-19)6-4-5-13(2)10-15/h7,9,13,17,19H,3-6,8,10-12H2,1-2H3.
What are the key properties of [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-propylimidazol-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 55153846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).