(3E)-octa-1,3,5,6-tetraen-3-amine

C8H11N — CID 134515463

IUPAC(3E)-octa-1,3,5,6-tetraen-3-amine
SMILESC=C/C(N)=C\C=C=CC
InChIInChI=1S/C8H11N/c1-3-5-6-7-8(9)4-2/h3-4,6-7H,2,9H2,1H3/b8-7+
InChIKeyNVEFVXJRVSHKSZ-BQYQJAHWSA-N
MW121.18 g/mol
LogP1.75
Rot. Bonds2

About (3E)-octa-1,3,5,6-tetraen-3-amine

(3E)-octa-1,3,5,6-tetraen-3-amine (PubChem CID 134515463) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (3E)-octa-1,3,5,6-tetraen-3-amine.

Molecular Properties

Compound Name(3E)-octa-1,3,5,6-tetraen-3-amine
PubChem CID134515463
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(3E)-octa-1,3,5,6-tetraen-3-amine
SMILESC=C/C(N)=C\C=C=CC
InChIInChI=1S/C8H11N/c1-3-5-6-7-8(9)4-2/h3-4,6-7H,2,9H2,1H3/b8-7+
InChIKeyNVEFVXJRVSHKSZ-BQYQJAHWSA-N
XLogP1.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.75
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

(3E,5E)-octa-1,3,5,7-tetraene-3,6-diamine
CID 129109676
(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-amine
CID 143332399
(2E)-4-methylideneocta-2,5,6-trien-2-amine
CID 176530983
ethene;penta-2,3-diene
CID 174357342
(3E)-5-iminopenta-1,3-dien-3-amine
CID 143613476
(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
CID 142861932
(3E,5E)-5-nitrohepta-1,3,5-trien-3-amine
CID 142131622
(1E)-1-methylsulfanylbuta-1,3-dien-2-amine
CID 155152094
(5Z)-hepta-2,3,5-triene
CID 13356362
ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
CID 144803149
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725

Frequently Asked Questions

What is the IUPAC name of (3E)-octa-1,3,5,6-tetraen-3-amine?
The IUPAC name of (3E)-octa-1,3,5,6-tetraen-3-amine (CID 134515463) is (3E)-octa-1,3,5,6-tetraen-3-amine.
What is the SMILES notation for (3E)-octa-1,3,5,6-tetraen-3-amine?
The canonical SMILES for (3E)-octa-1,3,5,6-tetraen-3-amine is C=C/C(N)=C\C=C=CC.
What is the InChIKey of (3E)-octa-1,3,5,6-tetraen-3-amine?
The InChIKey is NVEFVXJRVSHKSZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H11N/c1-3-5-6-7-8(9)4-2/h3-4,6-7H,2,9H2,1H3/b8-7+.
What are the key properties of (3E)-octa-1,3,5,6-tetraen-3-amine?
(3E)-octa-1,3,5,6-tetraen-3-amine has a molecular weight of 121.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-octa-1,3,5,6-tetraen-3-amine is sourced from PubChem (CID 134515463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).