2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid

C14H28N2O2 — CID 103191967

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
SMILESCCN(C(C)CN(C)C)C1CCCCC1C(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-16(11(2)10-15(3)4)13-9-7-6-8-12(13)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeySPUDGDBTBOKQMN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.90
Rot. Bonds6

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid

2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 103191967) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
PubChem CID103191967
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
SMILESCCN(C(C)CN(C)C)C1CCCCC1C(=O)O
InChIInChI=1S/C14H28N2O2/c1-5-16(11(2)10-15(3)4)13-9-7-6-8-12(13)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeySPUDGDBTBOKQMN-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(dimethylamino)propan-2-yl-ethylamino]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

2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
CID 103190447
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63067749
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917
2-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63074557
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 63068946
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
CID 55146706
2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid (CID 103191967) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid is CCN(C(C)CN(C)C)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SPUDGDBTBOKQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-16(11(2)10-15(3)4)13-9-7-6-8-12(13)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid?
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 256.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103191967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).