N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine

C16H22N2 — CID 118518097

IUPACN-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine
SMILESC=C/C=C(\C)C/C(N=C(C)C)=C1\N=CCCC1=C
InChIInChI=1S/C16H22N2/c1-6-8-13(4)11-15(18-12(2)3)16-14(5)9-7-10-17-16/h6,8,10H,1,5,7,9,11H2,2-4H3/b13-8+,16-15+
InChIKeyUDNDJMYUZCPNDB-AUIWOQIESA-N
MW242.37 g/mol
LogP4.62
Rot. Bonds4

About N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine

N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine (PubChem CID 118518097) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine
PubChem CID118518097
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine
SMILESC=C/C=C(\C)C/C(N=C(C)C)=C1\N=CCCC1=C
InChIInChI=1S/C16H22N2/c1-6-8-13(4)11-15(18-12(2)3)16-14(5)9-7-10-17-16/h6,8,10H,1,5,7,9,11H2,2-4H3/b13-8+,16-15+
InChIKeyUDNDJMYUZCPNDB-AUIWOQIESA-N
XLogP4.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine 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-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine?
The IUPAC name of N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine (CID 118518097) is N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine.
What is the SMILES notation for N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine?
The canonical SMILES for N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine is C=C/C=C(\C)C/C(N=C(C)C)=C1\N=CCCC1=C.
What is the InChIKey of N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine?
The InChIKey is UDNDJMYUZCPNDB-AUIWOQIESA-N. The full InChI is InChI=1S/C16H22N2/c1-6-8-13(4)11-15(18-12(2)3)16-14(5)9-7-10-17-16/h6,8,10H,1,5,7,9,11H2,2-4H3/b13-8+,16-15+.
What are the key properties of N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine?
N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine has a molecular weight of 242.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine is sourced from PubChem (CID 118518097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).