N-(5-methylhexa-1,5-dienyl)methanimine

C8H13N — CID 91368315

IUPACN-(5-methylhexa-1,5-dienyl)methanimine
SMILESC=NC=CCCC(=C)C
InChIInChI=1S/C8H13N/c1-8(2)6-4-5-7-9-3/h5,7H,1,3-4,6H2,2H3
InChIKeyDWSVMMNZNJQCGL-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds4

About N-(5-methylhexa-1,5-dienyl)methanimine

N-(5-methylhexa-1,5-dienyl)methanimine (PubChem CID 91368315) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(5-methylhexa-1,5-dienyl)methanimine.

Molecular Properties

Compound NameN-(5-methylhexa-1,5-dienyl)methanimine
PubChem CID91368315
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(5-methylhexa-1,5-dienyl)methanimine
SMILESC=NC=CCCC(=C)C
InChIInChI=1S/C8H13N/c1-8(2)6-4-5-7-9-3/h5,7H,1,3-4,6H2,2H3
InChIKeyDWSVMMNZNJQCGL-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexa-1,5-dienyl)methanimine?
The IUPAC name of N-(5-methylhexa-1,5-dienyl)methanimine (CID 91368315) is N-(5-methylhexa-1,5-dienyl)methanimine.
What is the SMILES notation for N-(5-methylhexa-1,5-dienyl)methanimine?
The canonical SMILES for N-(5-methylhexa-1,5-dienyl)methanimine is C=NC=CCCC(=C)C.
What is the InChIKey of N-(5-methylhexa-1,5-dienyl)methanimine?
The InChIKey is DWSVMMNZNJQCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(2)6-4-5-7-9-3/h5,7H,1,3-4,6H2,2H3.
What are the key properties of N-(5-methylhexa-1,5-dienyl)methanimine?
N-(5-methylhexa-1,5-dienyl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexa-1,5-dienyl)methanimine is sourced from PubChem (CID 91368315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).