N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine

C19H35N — CID 123493449

IUPACN-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine
SMILESC/C=N/C(C)C(C)=CC=C(C)CCC(CC)CCCC
InChIInChI=1S/C19H35N/c1-7-10-11-19(8-2)15-13-16(4)12-14-17(5)18(6)20-9-3/h9,12,14,18-19H,7-8,10-11,13,15H2,1-6H3/b16-12?,17-14?,20-9+
InChIKeyHJHJXQBPQZMMSP-IPGRIWOXSA-N
MW277.50 g/mol
LogP6.35
Rot. Bonds10

About N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine

N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine (PubChem CID 123493449) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine.

Molecular Properties

Compound NameN-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine
PubChem CID123493449
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine
SMILESC/C=N/C(C)C(C)=CC=C(C)CCC(CC)CCCC
InChIInChI=1S/C19H35N/c1-7-10-11-19(8-2)15-13-16(4)12-14-17(5)18(6)20-9-3/h9,12,14,18-19H,7-8,10-11,13,15H2,1-6H3/b16-12?,17-14?,20-9+
InChIKeyHJHJXQBPQZMMSP-IPGRIWOXSA-N
XLogP6.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine 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

N-(4-ethyloctylidene)hydroxylamine
CID 174966103
5-ethyl-2-methylnon-1-ene
CID 23205953
9-ethyl-5-ethylidene-2,4-dimethyltridecane
CID 123664205
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392
5-methyl-2-pentylhept-5-en-1-ol
CID 150209179
5-ethylundecan-2-one
CID 90150873
4-ethylnonanethioic S-acid
CID 57093694
5-ethylnonane;5-propylnonane
CID 157441807
5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid
CID 87527831
7-ethyl-3-methylundecane
CID 57085432
8-ethyl-2-methyl-4-propyldodecane
CID 123360222

Frequently Asked Questions

What is the IUPAC name of N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine?
The IUPAC name of N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine (CID 123493449) is N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine.
What is the SMILES notation for N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine?
The canonical SMILES for N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine is C/C=N/C(C)C(C)=CC=C(C)CCC(CC)CCCC.
What is the InChIKey of N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine?
The InChIKey is HJHJXQBPQZMMSP-IPGRIWOXSA-N. The full InChI is InChI=1S/C19H35N/c1-7-10-11-19(8-2)15-13-16(4)12-14-17(5)18(6)20-9-3/h9,12,14,18-19H,7-8,10-11,13,15H2,1-6H3/b16-12?,17-14?,20-9+.
What are the key properties of N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine?
N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine has a molecular weight of 277.50 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine is sourced from PubChem (CID 123493449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).