4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one

C10H21NO — CID 144581032

IUPAC4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one
SMILESCC(=O)C(C(C)C)N(C)C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10(9(5)12)11(6)8(3)4/h7-8,10H,1-6H3
InChIKeyRQSOAWZQLCFGHE-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds4

About 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one

4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one (PubChem CID 144581032) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one
PubChem CID144581032
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one
SMILESCC(=O)C(C(C)C)N(C)C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10(9(5)12)11(6)8(3)4/h7-8,10H,1-6H3
InChIKeyRQSOAWZQLCFGHE-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[dimethyl(sulfanyl)-λ4-sulfanyl]-methylamino]-4-methylpentan-2-one
CID 123178272
ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one
CID 142312134
(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 153494768
N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane
CID 144736616
lithium;hydride;3-methylbutan-2-one
CID 173095274
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
CID 58883186
(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide
CID 178173065
3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
CID 43572314
2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
CID 43569337
S-methyl N-methyl-N-propan-2-ylcarbamothioate
CID 139377441

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one?
The IUPAC name of 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one (CID 144581032) is 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one.
What is the SMILES notation for 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one?
The canonical SMILES for 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one is CC(=O)C(C(C)C)N(C)C(C)C.
What is the InChIKey of 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one?
The InChIKey is RQSOAWZQLCFGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)10(9(5)12)11(6)8(3)4/h7-8,10H,1-6H3.
What are the key properties of 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one?
4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one has a molecular weight of 171.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one is sourced from PubChem (CID 144581032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).