3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one

C12H22N2O — CID 102994053

IUPAC3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
SMILESCCN(CCCN(C)C)C1=CC(=O)CC1
InChIInChI=1S/C12H22N2O/c1-4-14(9-5-8-13(2)3)11-6-7-12(15)10-11/h10H,4-9H2,1-3H3
InChIKeyLXQUYMCEVMZQJW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds6

About 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one

3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one (PubChem CID 102994053) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
PubChem CID102994053
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
SMILESCCN(CCCN(C)C)C1=CC(=O)CC1
InChIInChI=1S/C12H22N2O/c1-4-14(9-5-8-13(2)3)11-6-7-12(15)10-11/h10H,4-9H2,1-3H3
InChIKeyLXQUYMCEVMZQJW-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(propyl)amino]cyclopent-2-en-1-one
CID 104787696
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
CID 130992491
3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one
CID 104788444
N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102976014
3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one
CID 164652867
3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one
CID 104787717
3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one
CID 114949935
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
CID 102997418
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
N'-(3-chloro-2-nitrophenyl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995642

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one (CID 102994053) is 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one is CCN(CCCN(C)C)C1=CC(=O)CC1.
What is the InChIKey of 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one?
The InChIKey is LXQUYMCEVMZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14(9-5-8-13(2)3)11-6-7-12(15)10-11/h10H,4-9H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one?
3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 102994053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).