N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine

C10H16N2 — CID 139482113

IUPACN-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)C1=NCCCC1
InChIInChI=1S/C10H16N2/c1-3-11-8-9(2)10-6-4-5-7-12-10/h3,8H,4-7H2,1-2H3/b9-8+,11-3+
InChIKeyBBYRUYUQEXGWJC-NGOBVPNHSA-N
MW164.25 g/mol
LogP2.61
Rot. Bonds2

About N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine

N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine (PubChem CID 139482113) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine
PubChem CID139482113
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)C1=NCCCC1
InChIInChI=1S/C10H16N2/c1-3-11-8-9(2)10-6-4-5-7-12-10/h3,8H,4-7H2,1-2H3/b9-8+,11-3+
InChIKeyBBYRUYUQEXGWJC-NGOBVPNHSA-N
XLogP2.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine?
The IUPAC name of N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine (CID 139482113) is N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine is C/C=N/C=C(\C)C1=NCCCC1.
What is the InChIKey of N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine?
The InChIKey is BBYRUYUQEXGWJC-NGOBVPNHSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-11-8-9(2)10-6-4-5-7-12-10/h3,8H,4-7H2,1-2H3/b9-8+,11-3+.
What are the key properties of N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine?
N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine has a molecular weight of 164.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine is sourced from PubChem (CID 139482113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).