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

C17H34N2O2 — CID 79576826

IUPAC2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCCN(CC)CCC1CCCC1(NCCC)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-4-7-13-19(6-3)14-10-15-9-8-11-17(15,16(20)21)18-12-5-2/h15,18H,4-14H2,1-3H3,(H,20,21)
InChIKeyWNDHRVKLOJWWEX-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds11

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

2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79576826) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79576826
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCCN(CC)CCC1CCCC1(NCCC)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-4-7-13-19(6-3)14-10-15-9-8-11-17(15,16(20)21)18-12-5-2/h15,18H,4-14H2,1-3H3,(H,20,21)
InChIKeyWNDHRVKLOJWWEX-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79565480
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081
1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563619
2-[2-(2-hydroxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587670
1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79577441
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564361
2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587363
1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
CID 65045444
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79576826) is 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is CCCCN(CC)CCC1CCCC1(NCCC)C(=O)O.
What is the InChIKey of 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WNDHRVKLOJWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-7-13-19(6-3)14-10-15-9-8-11-17(15,16(20)21)18-12-5-2/h15,18H,4-14H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 298.47 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79576826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).