1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol

C15H27N3O — CID 114529797

IUPAC1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCN(C)C1(C(O)CCc2nccn2C)CCCCC1
InChIInChI=1S/C15H27N3O/c1-17(2)15(9-5-4-6-10-15)13(19)7-8-14-16-11-12-18(14)3/h11-13,19H,4-10H2,1-3H3
InChIKeyIOUYYZBBYFAJPI-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.98
Rot. Bonds5

About 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol

1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529797) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529797
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCN(C)C1(C(O)CCc2nccn2C)CCCCC1
InChIInChI=1S/C15H27N3O/c1-17(2)15(9-5-4-6-10-15)13(19)7-8-14-16-11-12-18(14)3/h11-13,19H,4-10H2,1-3H3
InChIKeyIOUYYZBBYFAJPI-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 114530454
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
CID 114529819
1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529718
1-[1-(dimethylamino)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanol
CID 79752032
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115838051
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529797) is 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol is CN(C)C1(C(O)CCc2nccn2C)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is IOUYYZBBYFAJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(2)15(9-5-4-6-10-15)13(19)7-8-14-16-11-12-18(14)3/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol?
1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).