1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid

C16H25N3O2 — CID 79634409

IUPAC1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCc1nccn1C1CCCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H25N3O2/c1-2-4-14-17-9-10-19(14)13-5-3-8-16(11-13,15(20)21)18-12-6-7-12/h9-10,12-13,18H,2-8,11H2,1H3,(H,20,21)
InChIKeyLTJMWVPYZZTFFZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.53
Rot. Bonds6

About 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid

1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79634409) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79634409
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCc1nccn1C1CCCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H25N3O2/c1-2-4-14-17-9-10-19(14)13-5-3-8-16(11-13,15(20)21)18-12-6-7-12/h9-10,12-13,18H,2-8,11H2,1H3,(H,20,21)
InChIKeyLTJMWVPYZZTFFZ-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79648637
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
[1-(methylamino)-3-(2-propylimidazol-1-yl)cyclopentyl]methanol
CID 79644477
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile
CID 79625295
1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79641596
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
N-ethyl-3-(2-propylimidazol-1-yl)cyclohexan-1-amine
CID 79619406
2,2-dimethyl-6-(2-propylimidazol-1-yl)cyclohexan-1-ol
CID 79847201
1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide
CID 79641725
1-(cyclopropylamino)-3-(2,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79628523
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid (CID 79634409) is 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid is CCCc1nccn1C1CCCC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is LTJMWVPYZZTFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-4-14-17-9-10-19(14)13-5-3-8-16(11-13,15(20)21)18-12-6-7-12/h9-10,12-13,18H,2-8,11H2,1H3,(H,20,21).
What are the key properties of 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79634409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).