4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one

C13H27NO — CID 58534733

IUPAC4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
SMILESCC(C)CCCN(C)CC(=O)CC(C)C
InChIInChI=1S/C13H27NO/c1-11(2)7-6-8-14(5)10-13(15)9-12(3)4/h11-12H,6-10H2,1-5H3
InChIKeyAXKOZLCCZUONOL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds8

About 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one

4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one (PubChem CID 58534733) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one.

Molecular Properties

Compound Name4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
PubChem CID58534733
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
SMILESCC(C)CCCN(C)CC(=O)CC(C)C
InChIInChI=1S/C13H27NO/c1-11(2)7-6-8-14(5)10-13(15)9-12(3)4/h11-12H,6-10H2,1-5H3
InChIKeyAXKOZLCCZUONOL-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl(3-methylbutyl)amino]pentan-2-one
CID 62041599
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
2-[3,7-dimethyloctyl(methyl)amino]acetic acid
CID 169208781
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210
4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one
CID 164982465
N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide
CID 156860431
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
CID 166733349
3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one?
The IUPAC name of 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one (CID 58534733) is 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one.
What is the SMILES notation for 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one?
The canonical SMILES for 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one is CC(C)CCCN(C)CC(=O)CC(C)C.
What is the InChIKey of 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one?
The InChIKey is AXKOZLCCZUONOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)7-6-8-14(5)10-13(15)9-12(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one?
4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one has a molecular weight of 213.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one is sourced from PubChem (CID 58534733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).