N-ethenylbutan-2-imine

C6H11N — CID 140522669

IUPACN-ethenylbutan-2-imine
SMILESC=C/N=C(\C)CC
InChIInChI=1S/C6H11N/c1-4-6(3)7-5-2/h5H,2,4H2,1,3H3/b7-6+
InChIKeyRYAHYXHXCGXUOK-VOTSOKGWSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds2

About N-ethenylbutan-2-imine

N-ethenylbutan-2-imine (PubChem CID 140522669) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-ethenylbutan-2-imine.

Molecular Properties

Compound NameN-ethenylbutan-2-imine
PubChem CID140522669
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-ethenylbutan-2-imine
SMILESC=C/N=C(\C)CC
InChIInChI=1S/C6H11N/c1-4-6(3)7-5-2/h5H,2,4H2,1,3H3/b7-6+
InChIKeyRYAHYXHXCGXUOK-VOTSOKGWSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 52.00
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-ethenylbutan-2-imine?
The IUPAC name of N-ethenylbutan-2-imine (CID 140522669) is N-ethenylbutan-2-imine.
What is the SMILES notation for N-ethenylbutan-2-imine?
The canonical SMILES for N-ethenylbutan-2-imine is C=C/N=C(\C)CC.
What is the InChIKey of N-ethenylbutan-2-imine?
The InChIKey is RYAHYXHXCGXUOK-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6(3)7-5-2/h5H,2,4H2,1,3H3/b7-6+.
What are the key properties of N-ethenylbutan-2-imine?
N-ethenylbutan-2-imine has a molecular weight of 97.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylbutan-2-imine is sourced from PubChem (CID 140522669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).