ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane

C16H31N — CID 143482543

IUPACethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane
SMILESCC.CC(C)C.CC1CNC2=CCCC=C2C1
InChIInChI=1S/C10H15N.C4H10.C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-4(2)3;1-2/h4-5,8,11H,2-3,6-7H2,1H3;4H,1-3H3;1-2H3
InChIKeyYOMBUJYZRYGFIB-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.91
Rot. Bonds

About ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane

ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane (PubChem CID 143482543) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane.

Molecular Properties

Compound Nameethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane
PubChem CID143482543
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Nameethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane
SMILESCC.CC(C)C.CC1CNC2=CCCC=C2C1
InChIInChI=1S/C10H15N.C4H10.C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-4(2)3;1-2/h4-5,8,11H,2-3,6-7H2,1H3;4H,1-3H3;1-2H3
InChIKeyYOMBUJYZRYGFIB-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1,2,3,5,6,7-hexahydroazulene
CID 142052092
2,3,5,6-tetrahydro-1H-indole
CID 89038750
4-methyl-2-methylidenepyrrolidine
CID 59894852
1,2,3,4,6,7-hexahydroquinoline;methane
CID 144640443
CID 66603050
CID 66603050
4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one
CID 20505342
4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
CID 20505369
6-bromo-3-methyl-1,2,3,4-tetrahydropyridine
CID 90190086
(5-methylcyclohexen-1-yl)benzene
CID 56998306
(3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine
CID 168828324
(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 42079847
molecular hydrogen;1,3,5,6-tetrahydroindol-2-one
CID 142303542

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane?
The IUPAC name of ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane (CID 143482543) is ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane.
What is the SMILES notation for ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane?
The canonical SMILES for ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane is CC.CC(C)C.CC1CNC2=CCCC=C2C1.
What is the InChIKey of ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane?
The InChIKey is YOMBUJYZRYGFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C4H10.C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-4(2)3;1-2/h4-5,8,11H,2-3,6-7H2,1H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane?
ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane has a molecular weight of 237.43 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane is sourced from PubChem (CID 143482543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).