2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride

C10H20ClN — CID 117069074

IUPAC2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
SMILESCC1CCC2CCCCC2N1.Cl
InChIInChI=1S/C10H19N.ClH/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h8-11H,2-7H2,1H3;1H
InChIKeySTORKALHQDCZCX-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.74
Rot. Bonds

About 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride

2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride (PubChem CID 117069074) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride.

Molecular Properties

Compound Name2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
PubChem CID117069074
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
SMILESCC1CCC2CCCCC2N1.Cl
InChIInChI=1S/C10H19N.ClH/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h8-11H,2-7H2,1H3;1H
InChIKeySTORKALHQDCZCX-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride (CID 117069074) is 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride.
What is the SMILES notation for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The canonical SMILES for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride is CC1CCC2CCCCC2N1.Cl.
What is the InChIKey of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The InChIKey is STORKALHQDCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h8-11H,2-7H2,1H3;1H.
What are the key properties of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride is sourced from PubChem (CID 117069074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).