(4Z,6Z)-octa-1,2,4,6-tetraen-1-amine

C8H11N — CID 134313665

IUPAC(4Z,6Z)-octa-1,2,4,6-tetraen-1-amine
SMILESC/C=C\C=C/C=C=CN
InChIInChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h2-6,8H,9H2,1H3/b3-2-,5-4-
InChIKeyHVTDIFYMBWTDOQ-LDIADDGTSA-N
MW121.18 g/mol
LogP1.75
Rot. Bonds2

About (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine

(4Z,6Z)-octa-1,2,4,6-tetraen-1-amine (PubChem CID 134313665) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-octa-1,2,4,6-tetraen-1-amine
PubChem CID134313665
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(4Z,6Z)-octa-1,2,4,6-tetraen-1-amine
SMILESC/C=C\C=C/C=C=CN
InChIInChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h2-6,8H,9H2,1H3/b3-2-,5-4-
InChIKeyHVTDIFYMBWTDOQ-LDIADDGTSA-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

(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 89016465
(5Z)-hepta-2,3,5-triene
CID 13356362
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(1E,3E)-N,N-dimethylpenta-1,3-dien-1-amine
CID 15260182
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
potassium;hexa-2,4-diene;hydride
CID 174550949
dodeca-2,3,4,6,8,10-hexaenoic acid
CID 91139207
(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene
CID 143910776
1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine
CID 174111731
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine?
The IUPAC name of (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine (CID 134313665) is (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine.
What is the SMILES notation for (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine?
The canonical SMILES for (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine is C/C=C\C=C/C=C=CN.
What is the InChIKey of (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine?
The InChIKey is HVTDIFYMBWTDOQ-LDIADDGTSA-N. The full InChI is InChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h2-6,8H,9H2,1H3/b3-2-,5-4-.
What are the key properties of (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine?
(4Z,6Z)-octa-1,2,4,6-tetraen-1-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 (4Z,6Z)-octa-1,2,4,6-tetraen-1-amine is sourced from PubChem (CID 134313665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).