N-(2-ethenylidenepentyl)methanimine

C8H13N — CID 163894236

IUPACN-(2-ethenylidenepentyl)methanimine
SMILESC=C=C(CCC)CN=C
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h2-4,6-7H2,1H3
InChIKeyQEEQWIFKJTVWMA-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.20
Rot. Bonds4

About N-(2-ethenylidenepentyl)methanimine

N-(2-ethenylidenepentyl)methanimine (PubChem CID 163894236) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(2-ethenylidenepentyl)methanimine.

Molecular Properties

Compound NameN-(2-ethenylidenepentyl)methanimine
PubChem CID163894236
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(2-ethenylidenepentyl)methanimine
SMILESC=C=C(CCC)CN=C
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h2-4,6-7H2,1H3
InChIKeyQEEQWIFKJTVWMA-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-methylidenepentyl)methanimine
CID 22946739
N-(2-methylidenehexyl)methanimine
CID 89785528
N-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 123326935
N-(4-methylidenehexan-2-yl)methanimine
CID 123941646
N-(3-methylidenepentyl)methanimine
CID 148822396
N-[(3-ethylcyclobuta-1,2-dien-1-yl)methyl]methanimine
CID 149580789
N-(2-methylideneoctyl)methanimine
CID 102345884
N-(2,4-dimethylpent-4-enyl)methanimine
CID 143707443

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylidenepentyl)methanimine?
The IUPAC name of N-(2-ethenylidenepentyl)methanimine (CID 163894236) is N-(2-ethenylidenepentyl)methanimine.
What is the SMILES notation for N-(2-ethenylidenepentyl)methanimine?
The canonical SMILES for N-(2-ethenylidenepentyl)methanimine is C=C=C(CCC)CN=C.
What is the InChIKey of N-(2-ethenylidenepentyl)methanimine?
The InChIKey is QEEQWIFKJTVWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h2-4,6-7H2,1H3.
What are the key properties of N-(2-ethenylidenepentyl)methanimine?
N-(2-ethenylidenepentyl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylidenepentyl)methanimine is sourced from PubChem (CID 163894236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).