N,N-diethyl-6-methylhept-5-enamide

C12H23NO — CID 18738846

IUPACN,N-diethyl-6-methylhept-5-enamide
SMILESCCN(CC)C(=O)CCCC=C(C)C
InChIInChI=1S/C12H23NO/c1-5-13(6-2)12(14)10-8-7-9-11(3)4/h9H,5-8,10H2,1-4H3
InChIKeyYTLAZQRPUNOVJT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds6

About N,N-diethyl-6-methylhept-5-enamide

N,N-diethyl-6-methylhept-5-enamide (PubChem CID 18738846) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N-diethyl-6-methylhept-5-enamide.

Molecular Properties

Compound NameN,N-diethyl-6-methylhept-5-enamide
PubChem CID18738846
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N-diethyl-6-methylhept-5-enamide
SMILESCCN(CC)C(=O)CCCC=C(C)C
InChIInChI=1S/C12H23NO/c1-5-13(6-2)12(14)10-8-7-9-11(3)4/h9H,5-8,10H2,1-4H3
InChIKeyYTLAZQRPUNOVJT-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
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-diethyl-6-methylhept-5-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-diethyl-6-methylhept-5-enamide?
The IUPAC name of N,N-diethyl-6-methylhept-5-enamide (CID 18738846) is N,N-diethyl-6-methylhept-5-enamide.
What is the SMILES notation for N,N-diethyl-6-methylhept-5-enamide?
The canonical SMILES for N,N-diethyl-6-methylhept-5-enamide is CCN(CC)C(=O)CCCC=C(C)C.
What is the InChIKey of N,N-diethyl-6-methylhept-5-enamide?
The InChIKey is YTLAZQRPUNOVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13(6-2)12(14)10-8-7-9-11(3)4/h9H,5-8,10H2,1-4H3.
What are the key properties of N,N-diethyl-6-methylhept-5-enamide?
N,N-diethyl-6-methylhept-5-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylhept-5-enamide is sourced from PubChem (CID 18738846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).