ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine

C14H22N2 — CID 144911657

IUPACethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine
SMILESC=CN1CC=C(C2=CC=NCC2)CC1.CC
InChIInChI=1S/C12H16N2.C2H6/c1-2-14-9-5-12(6-10-14)11-3-7-13-8-4-11;1-2/h2-3,5,7H,1,4,6,8-10H2;1-2H3
InChIKeyAQGWAGYBXLJRTO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.19
Rot. Bonds2

About ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine

ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine (PubChem CID 144911657) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine
PubChem CID144911657
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nameethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine
SMILESC=CN1CC=C(C2=CC=NCC2)CC1.CC
InChIInChI=1S/C12H16N2.C2H6/c1-2-14-9-5-12(6-10-14)11-3-7-13-8-4-11;1-2/h2-3,5,7H,1,4,6,8-10H2;1-2H3
InChIKeyAQGWAGYBXLJRTO-UHFFFAOYSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57055610
N,N-dimethyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57087941
N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57148887
1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
N-(2,2-dimethylpropyl)-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 67690175
2-Methylpyrrolo[2,3-h]isoquinoline
CID 88721001
N,N,7-trimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 90851840
5-(piperidin-1-ylmethyl)-4H-azepine
CID 123405058
8-Propyl-3,8a-dihydroimidazo[1,2-a]pyridine
CID 123617157
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
(2Z)-4-methyl-1-methylidene-2-(4-methyl-1-methylidene-2,5-dihydropyridin-1-ium-2,5-diid-6-ylidene)pyridin-1-ium
CID 140446381
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
CID 142099607

Frequently Asked Questions

What is the IUPAC name of ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine?
The IUPAC name of ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine (CID 144911657) is ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine.
What is the SMILES notation for ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine?
The canonical SMILES for ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine is C=CN1CC=C(C2=CC=NCC2)CC1.CC.
What is the InChIKey of ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine?
The InChIKey is AQGWAGYBXLJRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C2H6/c1-2-14-9-5-12(6-10-14)11-3-7-13-8-4-11;1-2/h2-3,5,7H,1,4,6,8-10H2;1-2H3.
What are the key properties of ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine?
ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine has a molecular weight of 218.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine is sourced from PubChem (CID 144911657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).