2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid

C15H30N2O2 — CID 63725690

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(C)CCN(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-6-12-7-8-13(15(18)19)14(11-12)17(4)10-9-16(2)3/h12-14H,5-11H2,1-4H3,(H,18,19)
InChIKeyLSDCMDQGDMPIKZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.15
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid

2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63725690) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
PubChem CID63725690
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(C)CCN(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-5-6-12-7-8-13(15(18)19)14(11-12)17(4)10-9-16(2)3/h12-14H,5-11H2,1-4H3,(H,18,19)
InChIKeyLSDCMDQGDMPIKZ-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-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

2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63069511
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-4-propylcyclohexane-1-carboxylic acid
CID 79311839
2-[butyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068922
2-[methyl(pyridin-3-ylmethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63068622
2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 55147863
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067435
4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 63066878
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63066865
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid (CID 63725690) is 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N(C)CCN(C)C)C1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is LSDCMDQGDMPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-12-7-8-13(15(18)19)14(11-12)17(4)10-9-16(2)3/h12-14H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid?
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63725690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).