(3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine

C14H19N — CID 134420041

IUPAC(3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine
SMILESC=C/C=C1/CNC=C(C(C)C)/C1=C/C=C
InChIInChI=1S/C14H19N/c1-5-7-12-9-15-10-14(11(3)4)13(12)8-6-2/h5-8,10-11,15H,1-2,9H2,3-4H3/b12-7-,13-8+
InChIKeyLIBGMZRISZSHSF-HAKHBUOSSA-N
MW201.31 g/mol
LogP3.35
Rot. Bonds3

About (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine

(3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine (PubChem CID 134420041) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine.

Molecular Properties

Compound Name(3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine
PubChem CID134420041
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine
SMILESC=C/C=C1/CNC=C(C(C)C)/C1=C/C=C
InChIInChI=1S/C14H19N/c1-5-7-12-9-15-10-14(11(3)4)13(12)8-6-2/h5-8,10-11,15H,1-2,9H2,3-4H3/b12-7-,13-8+
InChIKeyLIBGMZRISZSHSF-HAKHBUOSSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-ethenyl-2-ethyl-5-[3-(2-fluoroethyl)cyclohexa-2,4-dien-1-yl]-3-methylidenehept-4-en-1-amine
CID 130285492
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpentan-1-amine
CID 142528770
2-cyclohexa-1,3-dien-1-yl-N-(2-fluoroethyl)propan-1-amine
CID 144377154
2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 166812270
N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 167148048
2-Isobutyl-2,4-diisopropylpyridine
CID 129675219
2,6,7,7a-Tetrahydro-1h-isoindolium bromide
CID 129795329
N-[(6-propylcyclohexa-2,4-dien-1-yl)methyl]propan-1-amine
CID 134855454
5-(1-Fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine
CID 166101162
2-(2-Methylpropyl)-3,5-di-methylethyl-1,2-dihydropyridine
CID 601205
3-Butyl-1,2-dihydropyridine
CID 19373731
3-Propan-2-yl-1,2-dihydropyridine
CID 20641834

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine?
The IUPAC name of (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine (CID 134420041) is (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine.
What is the SMILES notation for (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine?
The canonical SMILES for (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine is C=C/C=C1/CNC=C(C(C)C)/C1=C/C=C.
What is the InChIKey of (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine?
The InChIKey is LIBGMZRISZSHSF-HAKHBUOSSA-N. The full InChI is InChI=1S/C14H19N/c1-5-7-12-9-15-10-14(11(3)4)13(12)8-6-2/h5-8,10-11,15H,1-2,9H2,3-4H3/b12-7-,13-8+.
What are the key properties of (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine?
(3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine has a molecular weight of 201.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-5-propan-2-yl-3,4-bis(prop-2-enylidene)-1,2-dihydropyridine is sourced from PubChem (CID 134420041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).