ethane;(E)-N,3,4-trimethyloct-6-enamide

C13H27NO — CID 144600492

IUPACethane;(E)-N,3,4-trimethyloct-6-enamide
SMILESC/C=C/CC(C)C(C)CC(=O)NC.CC
InChIInChI=1S/C11H21NO.C2H6/c1-5-6-7-9(2)10(3)8-11(13)12-4;1-2/h5-6,9-10H,7-8H2,1-4H3,(H,12,13);1-2H3/b6-5+;
InChIKeyVJXGKORNINMEBQ-IPZCTEOASA-N
MW213.37 g/mol
LogP3.39
Rot. Bonds5

About ethane;(E)-N,3,4-trimethyloct-6-enamide

ethane;(E)-N,3,4-trimethyloct-6-enamide (PubChem CID 144600492) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is ethane;(E)-N,3,4-trimethyloct-6-enamide.

Molecular Properties

Compound Nameethane;(E)-N,3,4-trimethyloct-6-enamide
PubChem CID144600492
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Nameethane;(E)-N,3,4-trimethyloct-6-enamide
SMILESC/C=C/CC(C)C(C)CC(=O)NC.CC
InChIInChI=1S/C11H21NO.C2H6/c1-5-6-7-9(2)10(3)8-11(13)12-4;1-2/h5-6,9-10H,7-8H2,1-4H3,(H,12,13);1-2H3/b6-5+;
InChIKeyVJXGKORNINMEBQ-IPZCTEOASA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(E)-N,3,4-trimethyloct-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

(E,3S,4R)-3,4-dimethyloct-6-enamide
CID 89087152
(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853
ethane;(E)-N-methylhex-4-enamide
CID 178010594
(E,3S,4R,5R)-4-hydroxy-5-methyl-3-(methylamino)non-7-enoic acid
CID 155352131
(E)-2-[(E)-but-2-enyl]-3-methylhept-5-enoic acid
CID 20820807
methyl (E,2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoate
CID 15735829
[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate
CID 6366382
4-methyloct-6-en-2-one
CID 54170853
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
[(1E,6E)-3,4-dimethylocta-1,6-dienyl] propanoate
CID 101283062
ethane;(E)-5-methylhex-2-ene
CID 143114143
N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane
CID 145078832

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N,3,4-trimethyloct-6-enamide?
The IUPAC name of ethane;(E)-N,3,4-trimethyloct-6-enamide (CID 144600492) is ethane;(E)-N,3,4-trimethyloct-6-enamide.
What is the SMILES notation for ethane;(E)-N,3,4-trimethyloct-6-enamide?
The canonical SMILES for ethane;(E)-N,3,4-trimethyloct-6-enamide is C/C=C/CC(C)C(C)CC(=O)NC.CC.
What is the InChIKey of ethane;(E)-N,3,4-trimethyloct-6-enamide?
The InChIKey is VJXGKORNINMEBQ-IPZCTEOASA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-5-6-7-9(2)10(3)8-11(13)12-4;1-2/h5-6,9-10H,7-8H2,1-4H3,(H,12,13);1-2H3/b6-5+;.
What are the key properties of ethane;(E)-N,3,4-trimethyloct-6-enamide?
ethane;(E)-N,3,4-trimethyloct-6-enamide has a molecular weight of 213.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N,3,4-trimethyloct-6-enamide is sourced from PubChem (CID 144600492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).