N-ethyl-3,7-dimethyloct-6-enamide

C12H23NO — CID 91172474

IUPACN-ethyl-3,7-dimethyloct-6-enamide
SMILESCCNC(=O)CC(C)CCC=C(C)C
InChIInChI=1S/C12H23NO/c1-5-13-12(14)9-11(4)8-6-7-10(2)3/h7,11H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyQOEBPQOZGPYFLC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.90
Rot. Bonds6

About N-ethyl-3,7-dimethyloct-6-enamide

N-ethyl-3,7-dimethyloct-6-enamide (PubChem CID 91172474) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-3,7-dimethyloct-6-enamide.

Molecular Properties

Compound NameN-ethyl-3,7-dimethyloct-6-enamide
PubChem CID91172474
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-3,7-dimethyloct-6-enamide
SMILESCCNC(=O)CC(C)CCC=C(C)C
InChIInChI=1S/C12H23NO/c1-5-13-12(14)9-11(4)8-6-7-10(2)3/h7,11H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyQOEBPQOZGPYFLC-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-3,7-dimethyloct-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

Related Compounds

2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid
CID 21298048
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
CID 86138659
(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
CID 11312339
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
ethyl N-[(3S)-3,7-dimethyloct-6-enyl]carbamate
CID 125470360
[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid
CID 18605959
[(3R)-3,7-dimethyloct-6-enyl] (5S)-3-hydroxy-5,9-dimethyldec-8-enoate
CID 166747683
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,7-dimethyloct-6-enamide?
The IUPAC name of N-ethyl-3,7-dimethyloct-6-enamide (CID 91172474) is N-ethyl-3,7-dimethyloct-6-enamide.
What is the SMILES notation for N-ethyl-3,7-dimethyloct-6-enamide?
The canonical SMILES for N-ethyl-3,7-dimethyloct-6-enamide is CCNC(=O)CC(C)CCC=C(C)C.
What is the InChIKey of N-ethyl-3,7-dimethyloct-6-enamide?
The InChIKey is QOEBPQOZGPYFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13-12(14)9-11(4)8-6-7-10(2)3/h7,11H,5-6,8-9H2,1-4H3,(H,13,14).
What are the key properties of N-ethyl-3,7-dimethyloct-6-enamide?
N-ethyl-3,7-dimethyloct-6-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,7-dimethyloct-6-enamide is sourced from PubChem (CID 91172474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).