N-(2-methylidenepent-3-enyl)ethanimine

C8H13N — CID 123463976

IUPACN-(2-methylidenepent-3-enyl)ethanimine
SMILESC=C(C=CC)C/N=C/C
InChIInChI=1S/C8H13N/c1-4-6-8(3)7-9-5-2/h4-6H,3,7H2,1-2H3/b6-4?,9-5+
InChIKeyHFLONNPVGJHDOZ-RYFFWAGZSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds3

About N-(2-methylidenepent-3-enyl)ethanimine

N-(2-methylidenepent-3-enyl)ethanimine (PubChem CID 123463976) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(2-methylidenepent-3-enyl)ethanimine.

Molecular Properties

Compound NameN-(2-methylidenepent-3-enyl)ethanimine
PubChem CID123463976
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(2-methylidenepent-3-enyl)ethanimine
SMILESC=C(C=CC)C/N=C/C
InChIInChI=1S/C8H13N/c1-4-6-8(3)7-9-5-2/h4-6H,3,7H2,1-2H3/b6-4?,9-5+
InChIKeyHFLONNPVGJHDOZ-RYFFWAGZSA-N
XLogP2.21
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 ≤ 52.21
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

2,7-Dihydroazocine
CID 53774889
3-Methylenepyridine
CID 59803326
Diethylideneaniline
CID 70417807
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
Bis-propylideneaniline
CID 129791915
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
5-fluoro-4-methyl-2H-azepine
CID 167253952
N-[(3E,5Z)-3-fluoro-7-methylidenenona-1,3,5,8-tetraen-2-yl]ethanimine
CID 169960632
N-[(E,2E)-6,6,6-trifluoro-4-methyl-2-pent-1-en-3-ylidenehex-3-enyl]ethanimine
CID 173690582

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenepent-3-enyl)ethanimine?
The IUPAC name of N-(2-methylidenepent-3-enyl)ethanimine (CID 123463976) is N-(2-methylidenepent-3-enyl)ethanimine.
What is the SMILES notation for N-(2-methylidenepent-3-enyl)ethanimine?
The canonical SMILES for N-(2-methylidenepent-3-enyl)ethanimine is C=C(C=CC)C/N=C/C.
What is the InChIKey of N-(2-methylidenepent-3-enyl)ethanimine?
The InChIKey is HFLONNPVGJHDOZ-RYFFWAGZSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(3)7-9-5-2/h4-6H,3,7H2,1-2H3/b6-4?,9-5+.
What are the key properties of N-(2-methylidenepent-3-enyl)ethanimine?
N-(2-methylidenepent-3-enyl)ethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenepent-3-enyl)ethanimine is sourced from PubChem (CID 123463976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).