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

C13H26N2O2 — CID 114991786

IUPAC1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
SMILESCCCN(CCN(C)C)C1(C(=O)O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-9-15(11-10-14(2)3)13(12(16)17)7-5-6-8-13/h4-11H2,1-3H3,(H,16,17)
InChIKeyKVDDPMNMZTZRSC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.66
Rot. Bonds7

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

1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid (PubChem CID 114991786) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
PubChem CID114991786
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
SMILESCCCN(CCN(C)C)C1(C(=O)O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-9-15(11-10-14(2)3)13(12(16)17)7-5-6-8-13/h4-11H2,1-3H3,(H,16,17)
InChIKeyKVDDPMNMZTZRSC-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid (CID 114991786) is 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid is CCCN(CCN(C)C)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KVDDPMNMZTZRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-9-15(11-10-14(2)3)13(12(16)17)7-5-6-8-13/h4-11H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid?
1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114991786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).