N-(2-methylpenta-3,4-dienyl)ethanimine

C8H13N — CID 123419701

IUPACN-(2-methylpenta-3,4-dienyl)ethanimine
SMILESC=C=CC(C)C/N=C/C
InChIInChI=1S/C8H13N/c1-4-6-8(3)7-9-5-2/h5-6,8H,1,7H2,2-3H3/b9-5+
InChIKeyUYFIEGDBILPKFI-WEVVVXLNSA-N
MW123.20 g/mol
LogP2.05
Rot. Bonds3

About N-(2-methylpenta-3,4-dienyl)ethanimine

N-(2-methylpenta-3,4-dienyl)ethanimine (PubChem CID 123419701) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(2-methylpenta-3,4-dienyl)ethanimine.

Molecular Properties

Compound NameN-(2-methylpenta-3,4-dienyl)ethanimine
PubChem CID123419701
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(2-methylpenta-3,4-dienyl)ethanimine
SMILESC=C=CC(C)C/N=C/C
InChIInChI=1S/C8H13N/c1-4-6-8(3)7-9-5-2/h5-6,8H,1,7H2,2-3H3/b9-5+
InChIKeyUYFIEGDBILPKFI-WEVVVXLNSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
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 N-(2-methylpenta-3,4-dienyl)ethanimine?
The IUPAC name of N-(2-methylpenta-3,4-dienyl)ethanimine (CID 123419701) is N-(2-methylpenta-3,4-dienyl)ethanimine.
What is the SMILES notation for N-(2-methylpenta-3,4-dienyl)ethanimine?
The canonical SMILES for N-(2-methylpenta-3,4-dienyl)ethanimine is C=C=CC(C)C/N=C/C.
What is the InChIKey of N-(2-methylpenta-3,4-dienyl)ethanimine?
The InChIKey is UYFIEGDBILPKFI-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(3)7-9-5-2/h5-6,8H,1,7H2,2-3H3/b9-5+.
What are the key properties of N-(2-methylpenta-3,4-dienyl)ethanimine?
N-(2-methylpenta-3,4-dienyl)ethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpenta-3,4-dienyl)ethanimine is sourced from PubChem (CID 123419701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).