(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine

C8H11N — CID 102095281

IUPAC(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
SMILESC=C/C=C/C=C/C=C/N
InChIInChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h2-8H,1,9H2/b4-3+,6-5+,8-7+
InChIKeyPZVDKTBWIUUELR-ARQDATDDSA-N
MW121.18 g/mol
LogP1.76
Rot. Bonds3

About (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine

(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine (PubChem CID 102095281) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
PubChem CID102095281
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
SMILESC=C/C=C/C=C/C=C/N
InChIInChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h2-8H,1,9H2/b4-3+,6-5+,8-7+
InChIKeyPZVDKTBWIUUELR-ARQDATDDSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-hexa-1,3,5-trien-1-amine
CID 19883152
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
CID 88887838
buta-1,3-dien-1-amine;prop-2-enenitrile
CID 160554693
(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
CID 102100192
(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
CID 163564879
(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
CID 101175233
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
nona-2,4,6,8-tetraenylideneazanium
CID 91117301
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
(1E,3Z)-1-iodohexa-1,3,5-triene
CID 87688168

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine (CID 102095281) is (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine is C=C/C=C/C=C/C=C/N.
What is the InChIKey of (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine?
The InChIKey is PZVDKTBWIUUELR-ARQDATDDSA-N. The full InChI is InChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h2-8H,1,9H2/b4-3+,6-5+,8-7+.
What are the key properties of (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine?
(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine has a molecular weight of 121.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 102095281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).