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

C12H20N2 — CID 139448306

IUPACN-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
SMILESC=NC1=C(/C=C/CC(C)C)CCCN1
InChIInChI=1S/C12H20N2/c1-10(2)6-4-7-11-8-5-9-14-12(11)13-3/h4,7,10,14H,3,5-6,8-9H2,1-2H3/b7-4+
InChIKeyGESAOSZIOQHPII-QPJJXVBHSA-N
MW192.31 g/mol
LogP2.88
Rot. Bonds4

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

N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine (PubChem CID 139448306) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine.

Molecular Properties

Compound NameN-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
PubChem CID139448306
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
SMILESC=NC1=C(/C=C/CC(C)C)CCCN1
InChIInChI=1S/C12H20N2/c1-10(2)6-4-7-11-8-5-9-14-12(11)13-3/h4,7,10,14H,3,5-6,8-9H2,1-2H3/b7-4+
InChIKeyGESAOSZIOQHPII-QPJJXVBHSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine 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-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
The IUPAC name of N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine (CID 139448306) is N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine.
What is the SMILES notation for N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
The canonical SMILES for N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine is C=NC1=C(/C=C/CC(C)C)CCCN1.
What is the InChIKey of N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
The InChIKey is GESAOSZIOQHPII-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)6-4-7-11-8-5-9-14-12(11)13-3/h4,7,10,14H,3,5-6,8-9H2,1-2H3/b7-4+.
What are the key properties of N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine is sourced from PubChem (CID 139448306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).