N-(2-ethenylpent-1-enyl)methanimine

C8H13N — CID 123940745

IUPACN-(2-ethenylpent-1-enyl)methanimine
SMILESC=CC(=CN=C)CCC
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h5,7H,2-4,6H2,1H3
InChIKeyIIQFXMBGEXDJNL-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds4

About N-(2-ethenylpent-1-enyl)methanimine

N-(2-ethenylpent-1-enyl)methanimine (PubChem CID 123940745) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(2-ethenylpent-1-enyl)methanimine.

Molecular Properties

Compound NameN-(2-ethenylpent-1-enyl)methanimine
PubChem CID123940745
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(2-ethenylpent-1-enyl)methanimine
SMILESC=CC(=CN=C)CCC
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h5,7H,2-4,6H2,1H3
InChIKeyIIQFXMBGEXDJNL-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-3-methylidenepenta-1,4-dienyl]methanimine
CID 87164006
N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine
CID 88874862
N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593
N-[(Z)-3-methylidenepent-1-enyl]methanimine
CID 89153681
N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine
CID 90155529
N-(3-methylbuta-1,3-dienyl)methanimine
CID 90721030
N-(3-methylpenta-1,2,4-trienyl)methanimine
CID 91084542
N-(5-methylhexa-1,5-dienyl)methanimine
CID 91368315
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine
CID 118675402
N-(2-ethylpenta-1,4-dienyl)ethanimine
CID 123272277

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylpent-1-enyl)methanimine?
The IUPAC name of N-(2-ethenylpent-1-enyl)methanimine (CID 123940745) is N-(2-ethenylpent-1-enyl)methanimine.
What is the SMILES notation for N-(2-ethenylpent-1-enyl)methanimine?
The canonical SMILES for N-(2-ethenylpent-1-enyl)methanimine is C=CC(=CN=C)CCC.
What is the InChIKey of N-(2-ethenylpent-1-enyl)methanimine?
The InChIKey is IIQFXMBGEXDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h5,7H,2-4,6H2,1H3.
What are the key properties of N-(2-ethenylpent-1-enyl)methanimine?
N-(2-ethenylpent-1-enyl)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-(2-ethenylpent-1-enyl)methanimine is sourced from PubChem (CID 123940745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).