(2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine

C16H27N — CID 22182869

IUPAC(2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine
SMILESC=CCCC/C=C/CNC/C=C/CCCC=C
InChIInChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,11-14,17H,1-2,5-10,15-16H2/b13-11+,14-12+
InChIKeyOMYMRQBFXXXVDT-PHEQNACWSA-N
MW233.40 g/mol
LogP4.40
Rot. Bonds12

About (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine

(2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine (PubChem CID 22182869) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine
PubChem CID22182869
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine
SMILESC=CCCC/C=C/CNC/C=C/CCCC=C
InChIInChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,11-14,17H,1-2,5-10,15-16H2/b13-11+,14-12+
InChIKeyOMYMRQBFXXXVDT-PHEQNACWSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine with MolForge

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Related Compounds

N-Methylfarnesylamine
CID 6433497
Ethyl-(3,7,11-trimethyl-dodeca-2,6,10-trienyl)-amine
CID 9992270
Bis-(3,7,11-trimethyl-dodeca-2,6,10-trienyl)-amine
CID 10432557
rac-(2R,6R)-2,6-diallyl-1,2,3,6-tetrahydropyridine
CID 2832191
(2S,6S)-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
CID 6353401
2-Allyl-1,2,3,6-tetrahydropyridine
CID 12967355
Di-octa-2,7-dienylamin
CID 54158784
(2E)-N-ethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 88612823
N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine
CID 23691
N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine
CID 54279550
(2S,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1380951
cis-2,6-Diallyl-1,2,5,6-tetrahydropyridine
CID 1380952

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine?
The IUPAC name of (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine (CID 22182869) is (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine.
What is the SMILES notation for (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine?
The canonical SMILES for (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine is C=CCCC/C=C/CNC/C=C/CCCC=C.
What is the InChIKey of (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine?
The InChIKey is OMYMRQBFXXXVDT-PHEQNACWSA-N. The full InChI is InChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,11-14,17H,1-2,5-10,15-16H2/b13-11+,14-12+.
What are the key properties of (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine?
(2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.40, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2E)-octa-2,7-dienyl]octa-2,7-dien-1-amine is sourced from PubChem (CID 22182869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).