1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride

C9H19ClN2 — CID 135184579

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride
SMILESCl.NC1CCC2CNCCC2C1
InChIInChI=1S/C9H18N2.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h7-9,11H,1-6,10H2;1H
InChIKeyLYAOHKHYMSGQEZ-UHFFFAOYSA-N
MW190.72 g/mol
LogP1.15
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride (PubChem CID 135184579) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride
PubChem CID135184579
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride
SMILESCl.NC1CCC2CNCCC2C1
InChIInChI=1S/C9H18N2.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h7-9,11H,1-6,10H2;1H
InChIKeyLYAOHKHYMSGQEZ-UHFFFAOYSA-N
XLogP1.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride (CID 135184579) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride is Cl.NC1CCC2CNCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride?
The InChIKey is LYAOHKHYMSGQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h7-9,11H,1-6,10H2;1H.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride has a molecular weight of 190.72 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride is sourced from PubChem (CID 135184579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).