1-(ethylamino)-5-methylhexan-2-one

C9H19NO — CID 116562437

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

About 1-(ethylamino)-5-methylhexan-2-one

1-(ethylamino)-5-methylhexan-2-one (PubChem CID 116562437) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(ethylamino)-5-methylhexan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-5-methylhexan-2-one
PubChem CID116562437
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(ethylamino)-5-methylhexan-2-one
SMILESCCNCC(=O)CCC(C)C
InChIInChI=1S/C9H19NO/c1-4-10-7-9(11)6-5-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyMSDFITJTKVXKBO-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

2-amino-6-(ethylamino)-5-oxohexanoic acid
CID 11435396
2-(ethylamino)-7-methyloctan-4-one
CID 116566607
1-(2-methylpropylamino)pentan-2-one
CID 58806853
2-(ethylamino)-N,N-bis(3-methylbutyl)acetamide
CID 60686802
2,9-dimethyldecane-4,6-dione
CID 152780076
1-(cyclopentylamino)-5-methylhexan-2-one
CID 116558960
1,1,1-trifluoro-6-methylheptan-3-one
CID 62620055
1-(ethylamino)-4-propylsulfonylbutan-2-one
CID 106736312
2,8,9-trimethyldecan-5-one
CID 162772851
5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
CID 175146377
2-methyltetradecan-5-one
CID 19931308
1-(ethylamino)-3-methylhexan-2-one
CID 107889963

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-methylhexan-2-one?
The IUPAC name of 1-(ethylamino)-5-methylhexan-2-one (CID 116562437) is 1-(ethylamino)-5-methylhexan-2-one.
What is the SMILES notation for 1-(ethylamino)-5-methylhexan-2-one?
The canonical SMILES for 1-(ethylamino)-5-methylhexan-2-one is CCNCC(=O)CCC(C)C.
What is the InChIKey of 1-(ethylamino)-5-methylhexan-2-one?
The InChIKey is MSDFITJTKVXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10-7-9(11)6-5-8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(ethylamino)-5-methylhexan-2-one?
1-(ethylamino)-5-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)-5-methylhexan-2-one is sourced from PubChem (CID 116562437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).