1-[methyl(3-methylbutyl)amino]pentan-2-one

C11H23NO — CID 62041599

IUPAC1-[methyl(3-methylbutyl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)CCC(C)C
InChIInChI=1S/C11H23NO/c1-5-6-11(13)9-12(4)8-7-10(2)3/h10H,5-9H2,1-4H3
InChIKeyQQQHFSLLYRRXMM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds7

About 1-[methyl(3-methylbutyl)amino]pentan-2-one

1-[methyl(3-methylbutyl)amino]pentan-2-one (PubChem CID 62041599) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[methyl(3-methylbutyl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[methyl(3-methylbutyl)amino]pentan-2-one
PubChem CID62041599
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[methyl(3-methylbutyl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)CCC(C)C
InChIInChI=1S/C11H23NO/c1-5-6-11(13)9-12(4)8-7-10(2)3/h10H,5-9H2,1-4H3
InChIKeyQQQHFSLLYRRXMM-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(3-methylbutyl)amino]pentan-2-one
CID 107870488
2-[methyl(3-methylbutyl)amino]acetohydrazide
CID 63578577
4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
CID 58534733
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
1-(dipropylamino)pentan-2-one
CID 62041814
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
1-[pentyl(propan-2-yl)amino]pentan-2-one
CID 62043113
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
2-[3,7-dimethyloctyl(methyl)amino]acetic acid
CID 169208781
1-(3-methylbutylsulfanyl)pentan-2-one
CID 107752833

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-methylbutyl)amino]pentan-2-one?
The IUPAC name of 1-[methyl(3-methylbutyl)amino]pentan-2-one (CID 62041599) is 1-[methyl(3-methylbutyl)amino]pentan-2-one.
What is the SMILES notation for 1-[methyl(3-methylbutyl)amino]pentan-2-one?
The canonical SMILES for 1-[methyl(3-methylbutyl)amino]pentan-2-one is CCCC(=O)CN(C)CCC(C)C.
What is the InChIKey of 1-[methyl(3-methylbutyl)amino]pentan-2-one?
The InChIKey is QQQHFSLLYRRXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-11(13)9-12(4)8-7-10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of 1-[methyl(3-methylbutyl)amino]pentan-2-one?
1-[methyl(3-methylbutyl)amino]pentan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-methylbutyl)amino]pentan-2-one is sourced from PubChem (CID 62041599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).