N,N,6-trimethylhept-6-enamide

C10H19NO — CID 18335945

IUPACN,N,6-trimethylhept-6-enamide
SMILESC=C(C)CCCCC(=O)N(C)C
InChIInChI=1S/C10H19NO/c1-9(2)7-5-6-8-10(12)11(3)4/h1,5-8H2,2-4H3
InChIKeyWYNAJJJBMTUGOD-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds5

About N,N,6-trimethylhept-6-enamide

N,N,6-trimethylhept-6-enamide (PubChem CID 18335945) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N,N,6-trimethylhept-6-enamide.

Molecular Properties

Compound NameN,N,6-trimethylhept-6-enamide
PubChem CID18335945
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN,N,6-trimethylhept-6-enamide
SMILESC=C(C)CCCCC(=O)N(C)C
InChIInChI=1S/C10H19NO/c1-9(2)7-5-6-8-10(12)11(3)4/h1,5-8H2,2-4H3
InChIKeyWYNAJJJBMTUGOD-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,6-trimethylhept-6-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethylhept-6-enamide?
The IUPAC name of N,N,6-trimethylhept-6-enamide (CID 18335945) is N,N,6-trimethylhept-6-enamide.
What is the SMILES notation for N,N,6-trimethylhept-6-enamide?
The canonical SMILES for N,N,6-trimethylhept-6-enamide is C=C(C)CCCCC(=O)N(C)C.
What is the InChIKey of N,N,6-trimethylhept-6-enamide?
The InChIKey is WYNAJJJBMTUGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-5-6-8-10(12)11(3)4/h1,5-8H2,2-4H3.
What are the key properties of N,N,6-trimethylhept-6-enamide?
N,N,6-trimethylhept-6-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethylhept-6-enamide is sourced from PubChem (CID 18335945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).