(2Z,5Z)-octa-2,5-dien-4-imine

C8H13N — CID 91445823

IUPAC(2Z,5Z)-octa-2,5-dien-4-imine
SMILES[H]/N=C(\C=C/C)/C=C\CC
InChIInChI=1S/C8H13N/c1-3-5-7-8(9)6-4-2/h4-7,9H,3H2,1-2H3/b6-4-,7-5-,9-8+
InChIKeyHVWYFNCXUVEVIA-VHIIXJFGSA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds3

About (2Z,5Z)-octa-2,5-dien-4-imine

(2Z,5Z)-octa-2,5-dien-4-imine (PubChem CID 91445823) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2Z,5Z)-octa-2,5-dien-4-imine.

Molecular Properties

Compound Name(2Z,5Z)-octa-2,5-dien-4-imine
PubChem CID91445823
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2Z,5Z)-octa-2,5-dien-4-imine
SMILES[H]/N=C(\C=C/C)/C=C\CC
InChIInChI=1S/C8H13N/c1-3-5-7-8(9)6-4-2/h4-7,9H,3H2,1-2H3/b6-4-,7-5-,9-8+
InChIKeyHVWYFNCXUVEVIA-VHIIXJFGSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-octa-2,5-dien-4-imine?
The IUPAC name of (2Z,5Z)-octa-2,5-dien-4-imine (CID 91445823) is (2Z,5Z)-octa-2,5-dien-4-imine.
What is the SMILES notation for (2Z,5Z)-octa-2,5-dien-4-imine?
The canonical SMILES for (2Z,5Z)-octa-2,5-dien-4-imine is [H]/N=C(\C=C/C)/C=C\CC.
What is the InChIKey of (2Z,5Z)-octa-2,5-dien-4-imine?
The InChIKey is HVWYFNCXUVEVIA-VHIIXJFGSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-7-8(9)6-4-2/h4-7,9H,3H2,1-2H3/b6-4-,7-5-,9-8+.
What are the key properties of (2Z,5Z)-octa-2,5-dien-4-imine?
(2Z,5Z)-octa-2,5-dien-4-imine has a molecular weight of 123.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-octa-2,5-dien-4-imine is sourced from PubChem (CID 91445823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).