4-methyl-2-(methylamino)hexan-3-one

C8H17NO — CID 116564888

IUPAC4-methyl-2-(methylamino)hexan-3-one
SMILESCCC(C)C(=O)C(C)NC
InChIInChI=1S/C8H17NO/c1-5-6(2)8(10)7(3)9-4/h6-7,9H,5H2,1-4H3
InChIKeyQHDROTUROFRKEA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds4

About 4-methyl-2-(methylamino)hexan-3-one

4-methyl-2-(methylamino)hexan-3-one (PubChem CID 116564888) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)hexan-3-one.

Molecular Properties

Compound Name4-methyl-2-(methylamino)hexan-3-one
PubChem CID116564888
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-methyl-2-(methylamino)hexan-3-one
SMILESCCC(C)C(=O)C(C)NC
InChIInChI=1S/C8H17NO/c1-5-6(2)8(10)7(3)9-4/h6-7,9H,5H2,1-4H3
InChIKeyQHDROTUROFRKEA-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methylamino)propanethioic S-acid
CID 141057590
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
1,2-diamino-4-(methylamino)pentan-3-one
CID 123312987
3-hydroxy-2,5-dimethylheptan-4-one
CID 87066906
3-imino-N,4-dimethylhexan-2-amine
CID 146640500
1-iodo-3-methyl-1-(propan-2-ylamino)pentan-2-one
CID 166808604
(2R)-2-(diethylamino)-4-methylhexan-3-one
CID 130410399
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
3-ethyl-2,2,5-trimethylheptan-4-one
CID 12547655
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
N-[(3S,4S)-3,6-dimethyl-5-oxooctan-4-yl]acetamide
CID 139337569
ethane;2-methyl-N-propan-2-yloxybutanamide
CID 171077918

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)hexan-3-one?
The IUPAC name of 4-methyl-2-(methylamino)hexan-3-one (CID 116564888) is 4-methyl-2-(methylamino)hexan-3-one.
What is the SMILES notation for 4-methyl-2-(methylamino)hexan-3-one?
The canonical SMILES for 4-methyl-2-(methylamino)hexan-3-one is CCC(C)C(=O)C(C)NC.
What is the InChIKey of 4-methyl-2-(methylamino)hexan-3-one?
The InChIKey is QHDROTUROFRKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6(2)8(10)7(3)9-4/h6-7,9H,5H2,1-4H3.
What are the key properties of 4-methyl-2-(methylamino)hexan-3-one?
4-methyl-2-(methylamino)hexan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)hexan-3-one is sourced from PubChem (CID 116564888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).