ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine

C10H17N — CID 144916764

IUPACethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C=C(C=C)/C=N/C.CC
InChIInChI=1S/C8H11N.C2H6/c1-4-6-8(5-2)7-9-3;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6+,9-7+;
InChIKeyFWHZSWXRNKZEKL-SLGVWIAZSA-N
MW151.25 g/mol
LogP3.01
Rot. Bonds3

About ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine

ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine (PubChem CID 144916764) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine
PubChem CID144916764
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Nameethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C=C(C=C)/C=N/C.CC
InChIInChI=1S/C8H11N.C2H6/c1-4-6-8(5-2)7-9-3;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6+,9-7+;
InChIKeyFWHZSWXRNKZEKL-SLGVWIAZSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.01
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 ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine (CID 144916764) is ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine is C=C/C=C(C=C)/C=N/C.CC.
What is the InChIKey of ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine?
The InChIKey is FWHZSWXRNKZEKL-SLGVWIAZSA-N. The full InChI is InChI=1S/C8H11N.C2H6/c1-4-6-8(5-2)7-9-3;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6+,9-7+;.
What are the key properties of ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine?
ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenyl-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 144916764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).