N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine

C14H27N — CID 123683477

IUPACN-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine
SMILESCCCC=C(C)C(=C(C)CC)N(C)CC
InChIInChI=1S/C14H27N/c1-7-10-11-13(5)14(12(4)8-2)15(6)9-3/h11H,7-10H2,1-6H3
InChIKeyKNQMRJINRZOVBO-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.37
Rot. Bonds6

About N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine

N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine (PubChem CID 123683477) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine.

Molecular Properties

Compound NameN-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine
PubChem CID123683477
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine
SMILESCCCC=C(C)C(=C(C)CC)N(C)CC
InChIInChI=1S/C14H27N/c1-7-10-11-13(5)14(12(4)8-2)15(6)9-3/h11H,7-10H2,1-6H3
InChIKeyKNQMRJINRZOVBO-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine 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

Magnesidin
CID 139589189
4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
CID 21597247
N-(dimethyloctadienyl)diethylamine
CID 129811778
3,5-dimethyl-N-butylpyridine
CID 141135275
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
CID 144831865
(6E)-1-ethyl-6-ethylidene-2-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridine
CID 146385505
(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
CID 163475037
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine
CID 166651269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine?
The IUPAC name of N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine (CID 123683477) is N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine.
What is the SMILES notation for N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine?
The canonical SMILES for N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine is CCCC=C(C)C(=C(C)CC)N(C)CC.
What is the InChIKey of N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine?
The InChIKey is KNQMRJINRZOVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-7-10-11-13(5)14(12(4)8-2)15(6)9-3/h11H,7-10H2,1-6H3.
What are the key properties of N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine?
N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine has a molecular weight of 209.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,5-trimethylnona-3,5-dien-4-amine is sourced from PubChem (CID 123683477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).