N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine

C14H27N — CID 123148589

IUPACN-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine
SMILESCCNCCC(C)C(C)=CC=C(C)CC
InChIInChI=1S/C14H27N/c1-6-12(3)8-9-13(4)14(5)10-11-15-7-2/h8-9,14-15H,6-7,10-11H2,1-5H3
InChIKeyFFZGFUBXYCSYHO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.92
Rot. Bonds7

About N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine

N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine (PubChem CID 123148589) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine
PubChem CID123148589
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine
SMILESCCNCCC(C)C(C)=CC=C(C)CC
InChIInChI=1S/C14H27N/c1-6-12(3)8-9-13(4)14(5)10-11-15-7-2/h8-9,14-15H,6-7,10-11H2,1-5H3
InChIKeyFFZGFUBXYCSYHO-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
N-[(E)-3-(5-fluoro-6-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)prop-2-enyl]pentan-1-amine
CID 126583499
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432
(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
CID 134292370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine?
The IUPAC name of N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine (CID 123148589) is N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine.
What is the SMILES notation for N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine?
The canonical SMILES for N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine is CCNCCC(C)C(C)=CC=C(C)CC.
What is the InChIKey of N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine?
The InChIKey is FFZGFUBXYCSYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-12(3)8-9-13(4)14(5)10-11-15-7-2/h8-9,14-15H,6-7,10-11H2,1-5H3.
What are the key properties of N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine?
N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,7-trimethylnona-4,6-dien-1-amine is sourced from PubChem (CID 123148589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).