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

C11H19N — CID 142548961

IUPACethane;3,4,5,6,7,8-hexahydroquinoline
SMILESC1=NC2=C(CC1)CCCC2.CC
InChIInChI=1S/C9H13N.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h7H,1-6H2;1-2H3
InChIKeyIVUBMGZHJTZDON-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.71
Rot. Bonds

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

ethane;3,4,5,6,7,8-hexahydroquinoline (PubChem CID 142548961) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;3,4,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Nameethane;3,4,5,6,7,8-hexahydroquinoline
PubChem CID142548961
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;3,4,5,6,7,8-hexahydroquinoline
SMILESC1=NC2=C(CC1)CCCC2.CC
InChIInChI=1S/C9H13N.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h7H,1-6H2;1-2H3
InChIKeyIVUBMGZHJTZDON-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5,6,7,8-Hexa-hydrocyclopenta[b]azepine
CID 129873577
4,5,6,7-tetrahydro-3H-indole
CID 20187842
3-Methyl-1,4,5,6,7,8-hexahydroisoquinoline
CID 23558738
3,4,5,6,7,8-Hexahydroisoquinoline
CID 53627705
3,4,5,6,7,8-Hexahydroquinoline
CID 53627927
3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoxaline
CID 57614237
4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)
CID 59475941
4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 68209656
4-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 89313200
1,4,5,6,7,8-Hexahydroisoquinoline
CID 90733336
3,4,5,8-Tetrahydro-1,6-naphthyridine
CID 91015384

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,5,6,7,8-hexahydroquinoline?
The IUPAC name of ethane;3,4,5,6,7,8-hexahydroquinoline (CID 142548961) is ethane;3,4,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for ethane;3,4,5,6,7,8-hexahydroquinoline?
The canonical SMILES for ethane;3,4,5,6,7,8-hexahydroquinoline is C1=NC2=C(CC1)CCCC2.CC.
What is the InChIKey of ethane;3,4,5,6,7,8-hexahydroquinoline?
The InChIKey is IVUBMGZHJTZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h7H,1-6H2;1-2H3.
What are the key properties of ethane;3,4,5,6,7,8-hexahydroquinoline?
ethane;3,4,5,6,7,8-hexahydroquinoline has a molecular weight of 165.28 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 142548961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).