4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one

C16H31NO2 — CID 123729301

IUPAC4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one
SMILESCCC(CN(C)CCC(CC)C(C)C(C)=O)C(C)=O
InChIInChI=1S/C16H31NO2/c1-7-15(12(3)13(4)18)9-10-17(6)11-16(8-2)14(5)19/h12,15-16H,7-11H2,1-6H3
InChIKeyPMEIZNLCGLSYLP-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.17
Rot. Bonds10

About 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one

4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one (PubChem CID 123729301) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one.

Molecular Properties

Compound Name4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one
PubChem CID123729301
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one
SMILESCCC(CN(C)CCC(CC)C(C)C(C)=O)C(C)=O
InChIInChI=1S/C16H31NO2/c1-7-15(12(3)13(4)18)9-10-17(6)11-16(8-2)14(5)19/h12,15-16H,7-11H2,1-6H3
InChIKeyPMEIZNLCGLSYLP-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-5-ethyl-4-hydroxy-3-methylheptan-2-one
CID 165348776
methyl 2-[[methyl(propyl)amino]methyl]butanoate
CID 115253043
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-ethylbutanamide
CID 113056810
3,4,5-trimethylheptan-2-one
CID 71402381
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
3-ethyl-5-fluoropentan-2-one
CID 80696730
3-[2-hydroxybutyl(methyl)amino]propanoic acid
CID 60986786
N,N-diethyl-2-[[2-methoxyethyl(methyl)amino]methyl]butanamide
CID 143677683
5-[[4-(ethenylamino)-2-methylimino-4-propan-2-yloxybutyl]-methylamino]-3-ethylpentan-2-one
CID 142816185

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one?
The IUPAC name of 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one (CID 123729301) is 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one.
What is the SMILES notation for 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one?
The canonical SMILES for 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one is CCC(CN(C)CCC(CC)C(C)C(C)=O)C(C)=O.
What is the InChIKey of 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one?
The InChIKey is PMEIZNLCGLSYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-7-15(12(3)13(4)18)9-10-17(6)11-16(8-2)14(5)19/h12,15-16H,7-11H2,1-6H3.
What are the key properties of 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one?
4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one has a molecular weight of 269.43 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(2-ethyl-3-oxobutyl)-methylamino]-3-methylhexan-2-one is sourced from PubChem (CID 123729301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).