5-methyl-2-(methylamino)octan-3-one

C10H21NO — CID 116564979

IUPAC5-methyl-2-(methylamino)octan-3-one
SMILESCCCC(C)CC(=O)C(C)NC
InChIInChI=1S/C10H21NO/c1-5-6-8(2)7-10(12)9(3)11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyKXRWEQBTHBNCJM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds6

About 5-methyl-2-(methylamino)octan-3-one

5-methyl-2-(methylamino)octan-3-one (PubChem CID 116564979) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)octan-3-one.

Molecular Properties

Compound Name5-methyl-2-(methylamino)octan-3-one
PubChem CID116564979
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-methyl-2-(methylamino)octan-3-one
SMILESCCCC(C)CC(=O)C(C)NC
InChIInChI=1S/C10H21NO/c1-5-6-8(2)7-10(12)9(3)11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyKXRWEQBTHBNCJM-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-4-methylheptan-2-one
CID 112574315
(2R,5S)-2-methyl-5-(methylamino)-4-oxohexanoic acid
CID 59111463
ethane;4-methylheptan-2-one
CID 142986053
3-methylhexanoate
CID 22322574
(6R)-6-methylnonane-2,4-dione
CID 98210989
7-amino-4-methylundecan-6-one
CID 116556730
5-methyloctane-2,3-dione
CID 20560355
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
3-methyl-N-propylhexanamide
CID 143315126
11-amino-4,7-dimethyldodecan-6-one
CID 116574232
(3R)-N,N,3-trimethylhexanamide
CID 170848594
1-cyclohexyl-1-hydroxy-4-methylheptan-2-one
CID 103457590

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)octan-3-one?
The IUPAC name of 5-methyl-2-(methylamino)octan-3-one (CID 116564979) is 5-methyl-2-(methylamino)octan-3-one.
What is the SMILES notation for 5-methyl-2-(methylamino)octan-3-one?
The canonical SMILES for 5-methyl-2-(methylamino)octan-3-one is CCCC(C)CC(=O)C(C)NC.
What is the InChIKey of 5-methyl-2-(methylamino)octan-3-one?
The InChIKey is KXRWEQBTHBNCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-8(2)7-10(12)9(3)11-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 5-methyl-2-(methylamino)octan-3-one?
5-methyl-2-(methylamino)octan-3-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)octan-3-one is sourced from PubChem (CID 116564979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).