4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid

C20H32N2O2 — CID 122039022

IUPAC4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccc1)CC(C)(C)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H32N2O2/c1-20(2,15-22(3)13-16-7-5-4-6-8-16)14-21-18-11-9-17(10-12-18)19(23)24/h4-8,17-18,21H,9-15H2,1-3H3,(H,23,24)
InChIKeyKXLJXLDEUFMCNN-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.38
Rot. Bonds8

About 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid

4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122039022) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122039022
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccc1)CC(C)(C)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H32N2O2/c1-20(2,15-22(3)13-16-7-5-4-6-8-16)14-21-18-11-9-17(10-12-18)19(23)24/h4-8,17-18,21H,9-15H2,1-3H3,(H,23,24)
InChIKeyKXLJXLDEUFMCNN-UHFFFAOYSA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]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

N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
3-[3-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]phenyl]propanoic acid
CID 122044156
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
CID 114494786
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62278153
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]propanamide
CID 75388511
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid (CID 122039022) is 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid is CN(Cc1ccccc1)CC(C)(C)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KXLJXLDEUFMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-20(2,15-22(3)13-16-7-5-4-6-8-16)14-21-18-11-9-17(10-12-18)19(23)24/h4-8,17-18,21H,9-15H2,1-3H3,(H,23,24).
What are the key properties of 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 332.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122039022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).