N-ethenylbutan-1-imine

C6H11N — CID 144735706

IUPACN-ethenylbutan-1-imine
SMILESC=C/N=C/CCC
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h4,6H,2-3,5H2,1H3/b7-6+
InChIKeyRJZFONFBVDADRV-VOTSOKGWSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds3

About N-ethenylbutan-1-imine

N-ethenylbutan-1-imine (PubChem CID 144735706) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-ethenylbutan-1-imine.

Molecular Properties

Compound NameN-ethenylbutan-1-imine
PubChem CID144735706
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-ethenylbutan-1-imine
SMILESC=C/N=C/CCC
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h4,6H,2-3,5H2,1H3/b7-6+
InChIKeyRJZFONFBVDADRV-VOTSOKGWSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(1E)-N-Ethenylethanimine
CID 13099158
6H-1,4-Diazepine
CID 53438770
(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
1-t-Butyl-2-aza-1,3-butadiene
CID 57542062
N-ethenyl-2-fluoropropan-1-imine
CID 89822850
N-ethenyl-2-fluoro-2-methylpropan-1-imine
CID 123473809
N-[(Z)-2-fluoroethenyl]-2-methylpropan-1-imine
CID 123799687
N-(1-fluoroethenyl)propan-1-imine
CID 123909746
N-ethenylpropanimidoyl fluoride
CID 154473419
N-[(E)-prop-1-enyl]propan-1-imine
CID 12603153
N-ethenylpropan-1-imine
CID 13099159
N-[(E)-prop-1-enyl]ethanimine
CID 13099165

Frequently Asked Questions

What is the IUPAC name of N-ethenylbutan-1-imine?
The IUPAC name of N-ethenylbutan-1-imine (CID 144735706) is N-ethenylbutan-1-imine.
What is the SMILES notation for N-ethenylbutan-1-imine?
The canonical SMILES for N-ethenylbutan-1-imine is C=C/N=C/CCC.
What is the InChIKey of N-ethenylbutan-1-imine?
The InChIKey is RJZFONFBVDADRV-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11N/c1-3-5-6-7-4-2/h4,6H,2-3,5H2,1H3/b7-6+.
What are the key properties of N-ethenylbutan-1-imine?
N-ethenylbutan-1-imine has a molecular weight of 97.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylbutan-1-imine is sourced from PubChem (CID 144735706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).