3-methyl-2-propan-2-ylpentanamide

C9H19NO — CID 44550482

IUPAC3-methyl-2-propan-2-ylpentanamide
SMILESCCC(C)C(C(N)=O)C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)8(6(2)3)9(10)11/h6-8H,5H2,1-4H3,(H2,10,11)
InChIKeyZLSITYMRUSNQID-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.79
Rot. Bonds4

About 3-methyl-2-propan-2-ylpentanamide

3-methyl-2-propan-2-ylpentanamide (PubChem CID 44550482) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylpentanamide
PubChem CID44550482
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-2-propan-2-ylpentanamide
SMILESCCC(C)C(C(N)=O)C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)8(6(2)3)9(10)11/h6-8H,5H2,1-4H3,(H2,10,11)
InChIKeyZLSITYMRUSNQID-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylpentanamide?
The IUPAC name of 3-methyl-2-propan-2-ylpentanamide (CID 44550482) is 3-methyl-2-propan-2-ylpentanamide.
What is the SMILES notation for 3-methyl-2-propan-2-ylpentanamide?
The canonical SMILES for 3-methyl-2-propan-2-ylpentanamide is CCC(C)C(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-ylpentanamide?
The InChIKey is ZLSITYMRUSNQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(4)8(6(2)3)9(10)11/h6-8H,5H2,1-4H3,(H2,10,11).
What are the key properties of 3-methyl-2-propan-2-ylpentanamide?
3-methyl-2-propan-2-ylpentanamide has a molecular weight of 157.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 44550482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).