2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine

C10H17N — CID 89064159

IUPAC2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine
SMILESC=CC(/C=N/C=C\C)CCC
InChIInChI=1S/C10H17N/c1-4-7-10(6-3)9-11-8-5-2/h5-6,8-10H,3-4,7H2,1-2H3/b8-5-,11-9+
InChIKeyYQCGIKYAIVPNAN-TWGJSUAUSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds5

About 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine

2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine (PubChem CID 89064159) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine.

Molecular Properties

Compound Name2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine
PubChem CID89064159
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine
SMILESC=CC(/C=N/C=C\C)CCC
InChIInChI=1S/C10H17N/c1-4-7-10(6-3)9-11-8-5-2/h5-6,8-10H,3-4,7H2,1-2H3/b8-5-,11-9+
InChIKeyYQCGIKYAIVPNAN-TWGJSUAUSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine?
The IUPAC name of 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine (CID 89064159) is 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine.
What is the SMILES notation for 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine?
The canonical SMILES for 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine is C=CC(/C=N/C=C\C)CCC.
What is the InChIKey of 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine?
The InChIKey is YQCGIKYAIVPNAN-TWGJSUAUSA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-10(6-3)9-11-8-5-2/h5-6,8-10H,3-4,7H2,1-2H3/b8-5-,11-9+.
What are the key properties of 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine?
2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine is sourced from PubChem (CID 89064159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).