N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine

C9H11N — CID 138477765

IUPACN-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine
SMILESC=C/C=C\C(=C/C=C)N=C
InChIInChI=1S/C9H11N/c1-4-6-8-9(10-3)7-5-2/h4-8H,1-3H2/b8-6-,9-7+
InChIKeyNFWGXVNFKJWELV-MKKAVFGOSA-N
MW133.19 g/mol
LogP2.50
Rot. Bonds4

About N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine

N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine (PubChem CID 138477765) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine
PubChem CID138477765
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine
SMILESC=C/C=C\C(=C/C=C)N=C
InChIInChI=1S/C9H11N/c1-4-6-8-9(10-3)7-5-2/h4-8H,1-3H2/b8-6-,9-7+
InChIKeyNFWGXVNFKJWELV-MKKAVFGOSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine?
The IUPAC name of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine (CID 138477765) is N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine.
What is the SMILES notation for N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine?
The canonical SMILES for N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine is C=C/C=C\C(=C/C=C)N=C.
What is the InChIKey of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine?
The InChIKey is NFWGXVNFKJWELV-MKKAVFGOSA-N. The full InChI is InChI=1S/C9H11N/c1-4-6-8-9(10-3)7-5-2/h4-8H,1-3H2/b8-6-,9-7+.
What are the key properties of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine?
N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine has a molecular weight of 133.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine is sourced from PubChem (CID 138477765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).