1-(ethylamino)-3-methylhexan-2-one

C9H19NO — CID 107889963

IUPAC1-(ethylamino)-3-methylhexan-2-one
SMILESCCCC(C)C(=O)CNCC
InChIInChI=1S/C9H19NO/c1-4-6-8(3)9(11)7-10-5-2/h8,10H,4-7H2,1-3H3
InChIKeyXXIODSGFTGFYFX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds6

About 1-(ethylamino)-3-methylhexan-2-one

1-(ethylamino)-3-methylhexan-2-one (PubChem CID 107889963) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(ethylamino)-3-methylhexan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-3-methylhexan-2-one
PubChem CID107889963
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(ethylamino)-3-methylhexan-2-one
SMILESCCCC(C)C(=O)CNCC
InChIInChI=1S/C9H19NO/c1-4-6-8(3)9(11)7-10-5-2/h8,10H,4-7H2,1-3H3
InChIKeyXXIODSGFTGFYFX-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methylheptan-3-one
CID 12696684
2,5-dimethyloctan-4-one
CID 88817499
3-ethyl-1-(ethylamino)pentan-2-one
CID 116562665
2,5-dimethyloct-1-en-4-one
CID 115780450
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
1-hydroxy-4-methylheptan-3-one
CID 87401678
(6S)-4,6-dimethylnonan-5-one
CID 177467625
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(3S)-3-methyl-2-oxohexanamide
CID 145466724
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
1-(ethylamino)-5-methylhexan-2-one
CID 116562437
(2R)-2-methylpentanoyl chloride
CID 7160703

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-methylhexan-2-one?
The IUPAC name of 1-(ethylamino)-3-methylhexan-2-one (CID 107889963) is 1-(ethylamino)-3-methylhexan-2-one.
What is the SMILES notation for 1-(ethylamino)-3-methylhexan-2-one?
The canonical SMILES for 1-(ethylamino)-3-methylhexan-2-one is CCCC(C)C(=O)CNCC.
What is the InChIKey of 1-(ethylamino)-3-methylhexan-2-one?
The InChIKey is XXIODSGFTGFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-8(3)9(11)7-10-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-methylhexan-2-one?
1-(ethylamino)-3-methylhexan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-methylhexan-2-one is sourced from PubChem (CID 107889963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).