3-formyl-N,N,4-trimethylpentanamide

C9H17NO2 — CID 91609262

IUPAC3-formyl-N,N,4-trimethylpentanamide
SMILESCC(C)C(C=O)CC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)8(6-11)5-9(12)10(3)4/h6-8H,5H2,1-4H3
InChIKeyAJGQMUNCNKYVBR-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds4

About 3-formyl-N,N,4-trimethylpentanamide

3-formyl-N,N,4-trimethylpentanamide (PubChem CID 91609262) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-formyl-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name3-formyl-N,N,4-trimethylpentanamide
PubChem CID91609262
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-formyl-N,N,4-trimethylpentanamide
SMILESCC(C)C(C=O)CC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)8(6-11)5-9(12)10(3)4/h6-8H,5H2,1-4H3
InChIKeyAJGQMUNCNKYVBR-UHFFFAOYSA-N
XLogP0.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-N,N,4-trimethylpentanamide?
The IUPAC name of 3-formyl-N,N,4-trimethylpentanamide (CID 91609262) is 3-formyl-N,N,4-trimethylpentanamide.
What is the SMILES notation for 3-formyl-N,N,4-trimethylpentanamide?
The canonical SMILES for 3-formyl-N,N,4-trimethylpentanamide is CC(C)C(C=O)CC(=O)N(C)C.
What is the InChIKey of 3-formyl-N,N,4-trimethylpentanamide?
The InChIKey is AJGQMUNCNKYVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)8(6-11)5-9(12)10(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 3-formyl-N,N,4-trimethylpentanamide?
3-formyl-N,N,4-trimethylpentanamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,N,4-trimethylpentanamide is sourced from PubChem (CID 91609262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).