(2Z,4E,6E)-octa-2,4,6-trien-4-amine

C8H13N — CID 89113450

IUPAC(2Z,4E,6E)-octa-2,4,6-trien-4-amine
SMILESC/C=C\C(N)=C/C=C/C
InChIInChI=1S/C8H13N/c1-3-5-7-8(9)6-4-2/h3-7H,9H2,1-2H3/b5-3+,6-4-,8-7+
InChIKeyQBMVAJRFKPOSIP-GOZJPCKMSA-N
MW123.20 g/mol
LogP1.98
Rot. Bonds2

About (2Z,4E,6E)-octa-2,4,6-trien-4-amine

(2Z,4E,6E)-octa-2,4,6-trien-4-amine (PubChem CID 89113450) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2Z,4E,6E)-octa-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2Z,4E,6E)-octa-2,4,6-trien-4-amine
PubChem CID89113450
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2Z,4E,6E)-octa-2,4,6-trien-4-amine
SMILESC/C=C\C(N)=C/C=C/C
InChIInChI=1S/C8H13N/c1-3-5-7-8(9)6-4-2/h3-7H,9H2,1-2H3/b5-3+,6-4-,8-7+
InChIKeyQBMVAJRFKPOSIP-GOZJPCKMSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.98
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

(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
CID 134355562
(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
CID 88558814
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(2Z,6E,8E,10E)-4,8-bis[(Z)-prop-1-enyl]dodeca-2,4,6,8,10-pentaene
CID 145128728
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
(2E,4Z)-hexa-2,4-diene-1,2-diamine
CID 89088938
(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene
CID 126714588
(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
CID 145347359
ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide
CID 143222339
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-octa-2,4,6-trien-4-amine?
The IUPAC name of (2Z,4E,6E)-octa-2,4,6-trien-4-amine (CID 89113450) is (2Z,4E,6E)-octa-2,4,6-trien-4-amine.
What is the SMILES notation for (2Z,4E,6E)-octa-2,4,6-trien-4-amine?
The canonical SMILES for (2Z,4E,6E)-octa-2,4,6-trien-4-amine is C/C=C\C(N)=C/C=C/C.
What is the InChIKey of (2Z,4E,6E)-octa-2,4,6-trien-4-amine?
The InChIKey is QBMVAJRFKPOSIP-GOZJPCKMSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-7-8(9)6-4-2/h3-7H,9H2,1-2H3/b5-3+,6-4-,8-7+.
What are the key properties of (2Z,4E,6E)-octa-2,4,6-trien-4-amine?
(2Z,4E,6E)-octa-2,4,6-trien-4-amine has a molecular weight of 123.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-octa-2,4,6-trien-4-amine is sourced from PubChem (CID 89113450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).