ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine

C14H25N — CID 143256801

IUPACethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1/N=CCCC1=C.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-8(2)7-10-9(3)5-4-6-11-10;2*1-2/h6-7H,1,3-5H2,2H3;2*1-2H3/b10-7+;;
InChIKeyYHINCSZXEBJGQY-WRQJSNHTSA-N
MW207.36 g/mol
LogP4.92
Rot. Bonds1

About ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine

ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine (PubChem CID 143256801) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
PubChem CID143256801
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1/N=CCCC1=C.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-8(2)7-10-9(3)5-4-6-11-10;2*1-2/h6-7H,1,3-5H2,2H3;2*1-2H3/b10-7+;;
InChIKeyYHINCSZXEBJGQY-WRQJSNHTSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methylazepino indole
CID 129789857
6-(3-Chloro-4-fluorocyclohexa-1,3-dien-1-yl)-5-methyl-3,4-dihydropyridine
CID 123581470
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
4,5-Dihydroindenopyridine
CID 129783754
3,4-Dibutylcyclopenta[b]pyrrole
CID 21095325
3,4-Diethylcyclopenta[b]pyrrole
CID 21095342
3,4-Dipropylcyclopenta[b]pyrrole
CID 21095412
3,4,5-Triethylcyclopenta[b]pyrrole
CID 21095831
2,4-Dimethylidene-5-propan-2-ylidenepyridine
CID 23532167
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115

Frequently Asked Questions

What is the IUPAC name of ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The IUPAC name of ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine (CID 143256801) is ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine.
What is the SMILES notation for ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The canonical SMILES for ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine is C=C(C)/C=C1/N=CCCC1=C.CC.CC.
What is the InChIKey of ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The InChIKey is YHINCSZXEBJGQY-WRQJSNHTSA-N. The full InChI is InChI=1S/C10H13N.2C2H6/c1-8(2)7-10-9(3)5-4-6-11-10;2*1-2/h6-7H,1,3-5H2,2H3;2*1-2H3/b10-7+;;.
What are the key properties of ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine is sourced from PubChem (CID 143256801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).