2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one

C13H23NO — CID 79568800

IUPAC2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one
SMILESCCCN(CCC1CCCC1=O)C1CC1
InChIInChI=1S/C13H23NO/c1-2-9-14(12-6-7-12)10-8-11-4-3-5-13(11)15/h11-12H,2-10H2,1H3
InChIKeyUTRUFLQAGNGAAP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one

2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one (PubChem CID 79568800) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one
PubChem CID79568800
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one
SMILESCCCN(CCC1CCCC1=O)C1CC1
InChIInChI=1S/C13H23NO/c1-2-9-14(12-6-7-12)10-8-11-4-3-5-13(11)15/h11-12H,2-10H2,1H3
InChIKeyUTRUFLQAGNGAAP-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one (CID 79568800) is 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one is CCCN(CCC1CCCC1=O)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one?
The InChIKey is UTRUFLQAGNGAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-9-14(12-6-7-12)10-8-11-4-3-5-13(11)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one?
2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79568800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).