2,5-dimethyl-4-(methylamino)hexan-3-one

C9H19NO — CID 21338974

IUPAC2,5-dimethyl-4-(methylamino)hexan-3-one
SMILESCNC(C(=O)C(C)C)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)8(10-5)9(11)7(3)4/h6-8,10H,1-5H3
InChIKeyPXGWOSHJDOPJHY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.46
Rot. Bonds4

About 2,5-dimethyl-4-(methylamino)hexan-3-one

2,5-dimethyl-4-(methylamino)hexan-3-one (PubChem CID 21338974) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylamino)hexan-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylamino)hexan-3-one
PubChem CID21338974
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,5-dimethyl-4-(methylamino)hexan-3-one
SMILESCNC(C(=O)C(C)C)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)8(10-5)9(11)7(3)4/h6-8,10H,1-5H3
InChIKeyPXGWOSHJDOPJHY-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Tert-butylamino)-4-methylpentan-2-one
CID 2060483
4-Methyl-3-(methylamino)pentan-2-one
CID 3268737
3-Methyl-1-(propan-2-ylamino)butan-2-one
CID 11819174
Acetamide, N-(1-acetyl-3-methylbutyl)-
CID 12277623
(4S)-4-amino-2,5-dimethylhexan-3-one
CID 59090903
(3S)-5-methyl-3-(methylamino)hexan-2-one
CID 59960251
1,1,1-Trifluoro-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 18739772
(3S)-6,6,6-trifluoro-3-(methylamino)-5-(trifluoromethyl)hexan-2-one
CID 89230316
6,6,6-Trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 130440229
(4S)-6,6,6-trifluoro-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 132027430
Ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 145087540
Ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 145087562

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylamino)hexan-3-one?
The IUPAC name of 2,5-dimethyl-4-(methylamino)hexan-3-one (CID 21338974) is 2,5-dimethyl-4-(methylamino)hexan-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(methylamino)hexan-3-one?
The canonical SMILES for 2,5-dimethyl-4-(methylamino)hexan-3-one is CNC(C(=O)C(C)C)C(C)C.
What is the InChIKey of 2,5-dimethyl-4-(methylamino)hexan-3-one?
The InChIKey is PXGWOSHJDOPJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)8(10-5)9(11)7(3)4/h6-8,10H,1-5H3.
What are the key properties of 2,5-dimethyl-4-(methylamino)hexan-3-one?
2,5-dimethyl-4-(methylamino)hexan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylamino)hexan-3-one is sourced from PubChem (CID 21338974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).