2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C14H25N3O — CID 66129994

IUPAC2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCCn1cncc1CNCC1CCCCC1O
InChIInChI=1S/C14H25N3O/c1-2-7-17-11-16-10-13(17)9-15-8-12-5-3-4-6-14(12)18/h10-12,14-15,18H,2-9H2,1H3
InChIKeyIXHSPYGKEVHSEX-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.93
Rot. Bonds6

About 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 66129994) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID66129994
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCCn1cncc1CNCC1CCCCC1O
InChIInChI=1S/C14H25N3O/c1-2-7-17-11-16-10-13(17)9-15-8-12-5-3-4-6-14(12)18/h10-12,14-15,18H,2-9H2,1H3
InChIKeyIXHSPYGKEVHSEX-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-propylimidazol-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
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
(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
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 99939521
4-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]-1-methylcyclohexan-1-ol
CID 137997809
(4,4-Difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
CID 174754336
2-Hydroxy-1-(4-methylimidazol-1-yl)-N-methylcyclohexanecarbothioamide
CID 19972905
2-Hydroxy-1-[(4-methylimidazol-1-yl)methyl]cyclohexane-1-carbothioamide
CID 56989699
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 66129994) is 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is CCCn1cncc1CNCC1CCCCC1O.
What is the InChIKey of 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IXHSPYGKEVHSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-7-17-11-16-10-13(17)9-15-8-12-5-3-4-6-14(12)18/h10-12,14-15,18H,2-9H2,1H3.
What are the key properties of 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 66129994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).