4-[methyl(pentyl)amino]butan-2-one

C10H21NO — CID 23332894

IUPAC4-[methyl(pentyl)amino]butan-2-one
SMILESCCCCCN(C)CCC(C)=O
InChIInChI=1S/C10H21NO/c1-4-5-6-8-11(3)9-7-10(2)12/h4-9H2,1-3H3
InChIKeyUPPYXMMYJGKZJV-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds7

About 4-[methyl(pentyl)amino]butan-2-one

4-[methyl(pentyl)amino]butan-2-one (PubChem CID 23332894) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-[methyl(pentyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl(pentyl)amino]butan-2-one
PubChem CID23332894
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-[methyl(pentyl)amino]butan-2-one
SMILESCCCCCN(C)CCC(C)=O
InChIInChI=1S/C10H21NO/c1-4-5-6-8-11(3)9-7-10(2)12/h4-9H2,1-3H3
InChIKeyUPPYXMMYJGKZJV-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515
CID 155195867
CID 155195867
4-[2-butylsulfonylethyl(methyl)amino]butan-2-one
CID 122644656
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentyl)amino]butan-2-one?
The IUPAC name of 4-[methyl(pentyl)amino]butan-2-one (CID 23332894) is 4-[methyl(pentyl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl(pentyl)amino]butan-2-one?
The canonical SMILES for 4-[methyl(pentyl)amino]butan-2-one is CCCCCN(C)CCC(C)=O.
What is the InChIKey of 4-[methyl(pentyl)amino]butan-2-one?
The InChIKey is UPPYXMMYJGKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-8-11(3)9-7-10(2)12/h4-9H2,1-3H3.
What are the key properties of 4-[methyl(pentyl)amino]butan-2-one?
4-[methyl(pentyl)amino]butan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentyl)amino]butan-2-one is sourced from PubChem (CID 23332894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).