3-(dibutylamino)cyclopentan-1-one

C13H25NO — CID 79644207

IUPAC3-(dibutylamino)cyclopentan-1-one
SMILESCCCCN(CCCC)C1CCC(=O)C1
InChIInChI=1S/C13H25NO/c1-3-5-9-14(10-6-4-2)12-7-8-13(15)11-12/h12H,3-11H2,1-2H3
InChIKeyWLPNYUKJKMQULA-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.01
Rot. Bonds7

About 3-(dibutylamino)cyclopentan-1-one

3-(dibutylamino)cyclopentan-1-one (PubChem CID 79644207) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(dibutylamino)cyclopentan-1-one.

Molecular Properties

Compound Name3-(dibutylamino)cyclopentan-1-one
PubChem CID79644207
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(dibutylamino)cyclopentan-1-one
SMILESCCCCN(CCCC)C1CCC(=O)C1
InChIInChI=1S/C13H25NO/c1-3-5-9-14(10-6-4-2)12-7-8-13(15)11-12/h12H,3-11H2,1-2H3
InChIKeyWLPNYUKJKMQULA-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
CID 79644095
3-[ethyl(2-methoxyethyl)amino]cyclopentan-1-one
CID 79644212
3-[bis(2-methylpropyl)amino]cyclopentan-1-one
CID 79643153
N-methyl-2-[(3-oxocyclopentyl)-propylamino]acetamide
CID 79643633
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
CID 79619177
3-[ethyl(2-methoxyethyl)amino]cyclohexan-1-one
CID 79618844
6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 12581200
(Z)-but-2-enedioic acid;6-[butyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 70114751
(NE)-N-[6-(dibutylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 21258574

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)cyclopentan-1-one?
The IUPAC name of 3-(dibutylamino)cyclopentan-1-one (CID 79644207) is 3-(dibutylamino)cyclopentan-1-one.
What is the SMILES notation for 3-(dibutylamino)cyclopentan-1-one?
The canonical SMILES for 3-(dibutylamino)cyclopentan-1-one is CCCCN(CCCC)C1CCC(=O)C1.
What is the InChIKey of 3-(dibutylamino)cyclopentan-1-one?
The InChIKey is WLPNYUKJKMQULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-9-14(10-6-4-2)12-7-8-13(15)11-12/h12H,3-11H2,1-2H3.
What are the key properties of 3-(dibutylamino)cyclopentan-1-one?
3-(dibutylamino)cyclopentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)cyclopentan-1-one is sourced from PubChem (CID 79644207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).