1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid

C14H26N2O3 — CID 115441031

IUPAC1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)CCN(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-11-4-7-14(8-5-11,13(18)19)10-15-12(17)6-9-16(2)3/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyALHWQSPIWVAIFP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.34
Rot. Bonds6

About 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115441031) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115441031
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)CCN(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-11-4-7-14(8-5-11,13(18)19)10-15-12(17)6-9-16(2)3/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyALHWQSPIWVAIFP-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-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-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443056
1-[(3-ethoxypropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310360
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
1-[[3-(ethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442654
1-[(4-methoxybutanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440871
1-[[(2-acetamidoacetyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310356
1-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442563
1-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442615
1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443035
1-[(3-imidazol-1-ylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440880
4-methyl-1-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442989
1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442992

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115441031) is 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)CCN(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is ALHWQSPIWVAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-4-7-14(8-5-11,13(18)19)10-15-12(17)6-9-16(2)3/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115441031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).