3-methylpentanamide

C6H13NO — CID 10176126

IUPAC3-methylpentanamide
SMILESCCC(C)CC(N)=O
InChIInChI=1S/C6H13NO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeySIMLCFANWCDGAF-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.91
Rot. Bonds3

About 3-methylpentanamide

3-methylpentanamide (PubChem CID 10176126) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methylpentanamide.

Molecular Properties

Compound Name3-methylpentanamide
PubChem CID10176126
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methylpentanamide
SMILESCCC(C)CC(N)=O
InChIInChI=1S/C6H13NO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeySIMLCFANWCDGAF-UHFFFAOYSA-N
XLogP0.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentanamide?
The IUPAC name of 3-methylpentanamide (CID 10176126) is 3-methylpentanamide.
What is the SMILES notation for 3-methylpentanamide?
The canonical SMILES for 3-methylpentanamide is CCC(C)CC(N)=O.
What is the InChIKey of 3-methylpentanamide?
The InChIKey is SIMLCFANWCDGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 3-methylpentanamide?
3-methylpentanamide has a molecular weight of 115.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentanamide is sourced from PubChem (CID 10176126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).