2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid

C13H26N2O2 — CID 55147863

IUPAC2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
SMILESCCCN(CCN(C)C)C1CCCC1C(=O)O
InChIInChI=1S/C13H26N2O2/c1-4-8-15(10-9-14(2)3)12-7-5-6-11(12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyVOCNPCSIKZIWNI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid

2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid (PubChem CID 55147863) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
PubChem CID55147863
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
SMILESCCCN(CCN(C)C)C1CCCC1C(=O)O
InChIInChI=1S/C13H26N2O2/c1-4-8-15(10-9-14(2)3)12-7-5-6-11(12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyVOCNPCSIKZIWNI-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 63068946
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 83817695
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 63066878
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550
2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 63073672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid (CID 55147863) is 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid is CCCN(CCN(C)C)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
The InChIKey is VOCNPCSIKZIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-15(10-9-14(2)3)12-7-5-6-11(12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 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-propylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55147863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).