3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one

C12H22N2O — CID 104788205

IUPAC3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
SMILESCCN(CC)CCCNC1=CC(=O)CC1
InChIInChI=1S/C12H22N2O/c1-3-14(4-2)9-5-8-13-11-6-7-12(15)10-11/h10,13H,3-9H2,1-2H3
InChIKeyLABHZBRLRKKXQJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds7

About 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one

3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one (PubChem CID 104788205) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
PubChem CID104788205
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
SMILESCCN(CC)CCCNC1=CC(=O)CC1
InChIInChI=1S/C12H22N2O/c1-3-14(4-2)9-5-8-13-11-6-7-12(15)10-11/h10,13H,3-9H2,1-2H3
InChIKeyLABHZBRLRKKXQJ-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
CID 121205903
N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 3069993
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
CID 130992491
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one
CID 104788498
2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779915
2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
CID 81281767
N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen
CID 145166805

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one (CID 104788205) is 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one is CCN(CC)CCCNC1=CC(=O)CC1.
What is the InChIKey of 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one?
The InChIKey is LABHZBRLRKKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-14(4-2)9-5-8-13-11-6-7-12(15)10-11/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one?
3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).