N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine

C15H20N2 — CID 118616227

IUPACN-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine
SMILESC=C/C=C(\N=C\C(C=C)CC)C1CC=CC=N1
InChIInChI=1S/C15H20N2/c1-4-9-14(15-10-7-8-11-16-15)17-12-13(5-2)6-3/h4-5,7-9,11-13,15H,1-2,6,10H2,3H3/b14-9-,17-12+
InChIKeyBRJMEKYMZHYUPW-XNCNVXHCSA-N
MW228.34 g/mol
LogP3.74
Rot. Bonds6

About N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine

N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine (PubChem CID 118616227) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine.

Molecular Properties

Compound NameN-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine
PubChem CID118616227
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine
SMILESC=C/C=C(\N=C\C(C=C)CC)C1CC=CC=N1
InChIInChI=1S/C15H20N2/c1-4-9-14(15-10-7-8-11-16-15)17-12-13(5-2)6-3/h4-5,7-9,11-13,15H,1-2,6,10H2,3H3/b14-9-,17-12+
InChIKeyBRJMEKYMZHYUPW-XNCNVXHCSA-N
XLogP3.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine?
The IUPAC name of N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine (CID 118616227) is N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine.
What is the SMILES notation for N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine?
The canonical SMILES for N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine is C=C/C=C(\N=C\C(C=C)CC)C1CC=CC=N1.
What is the InChIKey of N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine?
The InChIKey is BRJMEKYMZHYUPW-XNCNVXHCSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-9-14(15-10-7-8-11-16-15)17-12-13(5-2)6-3/h4-5,7-9,11-13,15H,1-2,6,10H2,3H3/b14-9-,17-12+.
What are the key properties of N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine?
N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine has a molecular weight of 228.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(2,3-dihydropyridin-2-yl)buta-1,3-dienyl]-2-ethylbut-3-en-1-imine is sourced from PubChem (CID 118616227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).