ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile

C12H18N2 — CID 142549073

IUPACethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile
SMILESCC.N#CC1CCCC2=C1N=CCC2
InChIInChI=1S/C10H12N2.C2H6/c11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-2/h6,9H,1-5H2;1-2H3
InChIKeyBPTAJQJKWOCZIM-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.45
Rot. Bonds

About ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile

ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile (PubChem CID 142549073) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile.

Molecular Properties

Compound Nameethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile
PubChem CID142549073
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Nameethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile
SMILESCC.N#CC1CCCC2=C1N=CCC2
InChIInChI=1S/C10H12N2.C2H6/c11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-2/h6,9H,1-5H2;1-2H3
InChIKeyBPTAJQJKWOCZIM-UHFFFAOYSA-N
XLogP3.45
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
4-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 89313200
1-(3-Ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
CID 123420524
1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine
CID 134463819
8-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 143913712
N-(2,6-dimethylcyclohexen-1-yl)propan-1-imine
CID 145471476
1-Hydroxy-7-methyl-3,4,5,6,7,8-hexahydroquinolin-1-ium-3-carbonitrile
CID 164586966
6-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 166901327
2,3,4-Trimethyl-7-propan-2-yl-4,4a,7,8-tetrahydro-1,6-naphthyridine
CID 167263548
6-Propan-2-yl-3,4,5,6,7,8-hexahydroquinoline
CID 169977751
2-[(2-Methylcyclohexyl)methylideneamino]cyclohexene-1-carbonitrile
CID 24869527
3,4,5,6,7,8-Hexahydroquinoline-8-carbonitrile
CID 142549074

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The IUPAC name of ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile (CID 142549073) is ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile.
What is the SMILES notation for ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The canonical SMILES for ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile is CC.N#CC1CCCC2=C1N=CCC2.
What is the InChIKey of ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The InChIKey is BPTAJQJKWOCZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-2/h6,9H,1-5H2;1-2H3.
What are the key properties of ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile has a molecular weight of 190.29 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile is sourced from PubChem (CID 142549073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).