2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid

C16H25N3O2 — CID 66141475

IUPAC2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid
SMILESCN(Cc1cncn1C1CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H25N3O2/c1-18(11-14-10-17-12-19(14)13-5-6-13)16(9-15(20)21)7-3-2-4-8-16/h10,12-13H,2-9,11H2,1H3,(H,20,21)
InChIKeyYMFWSHVSDGDFGZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.83
Rot. Bonds6

About 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid

2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid (PubChem CID 66141475) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid
PubChem CID66141475
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid
SMILESCN(Cc1cncn1C1CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H25N3O2/c1-18(11-14-10-17-12-19(14)13-5-6-13)16(9-15(20)21)7-3-2-4-8-16/h10,12-13H,2-9,11H2,1H3,(H,20,21)
InChIKeyYMFWSHVSDGDFGZ-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic 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

2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
CID 65240402
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242716
methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 66153111
2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
CID 65242953
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
CID 66153110
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 66163296
2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242660

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid (CID 66141475) is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid is CN(Cc1cncn1C1CC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid?
The InChIKey is YMFWSHVSDGDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(11-14-10-17-12-19(14)13-5-6-13)16(9-15(20)21)7-3-2-4-8-16/h10,12-13H,2-9,11H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid?
2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 66141475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).