3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one

C12H21NO2 — CID 104787825

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one
SMILESCCC(C)N(CCOC)C1=CC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-4-10(2)13(7-8-15-3)11-5-6-12(14)9-11/h9-10H,4-8H2,1-3H3
InChIKeyBWIHCKIZMYXXHP-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.98
Rot. Bonds6

About 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one

3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787825) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one
PubChem CID104787825
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one
SMILESCCC(C)N(CCOC)C1=CC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-4-10(2)13(7-8-15-3)11-5-6-12(14)9-11/h9-10H,4-8H2,1-3H3
InChIKeyBWIHCKIZMYXXHP-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxyethyl(pentan-3-yl)amino]cyclopent-2-en-1-one
CID 104787817
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
CID 55000062
3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
CID 102994053
3-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 102815884
4-[butan-2-yl(2-methoxyethyl)amino]-3,5-difluorobenzoic acid
CID 63077205
2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
3-(3-methylpentan-2-yl)cyclopent-2-en-1-one
CID 130689941
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one (CID 104787825) is 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one is CCC(C)N(CCOC)C1=CC(=O)CC1.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one?
The InChIKey is BWIHCKIZMYXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-10(2)13(7-8-15-3)11-5-6-12(14)9-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one?
3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one has a molecular weight of 211.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).