[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride

C10H21ClN2 — CID 119056746

IUPAC[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H20N2.ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;/h9-10H,1-8,11H2;1H/t9?,10-;/m1./s1
InChIKeyLAGDTPPZKWZXDS-FJYJDOHQSA-N
MW204.74 g/mol
LogP1.63
Rot. Bonds1

About [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride

[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride (PubChem CID 119056746) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
PubChem CID119056746
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H20N2.ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;/h9-10H,1-8,11H2;1H/t9?,10-;/m1./s1
InChIKeyLAGDTPPZKWZXDS-FJYJDOHQSA-N
XLogP1.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride with MolForge

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Related Compounds

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
CID 43293580
[2-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 55158006
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
[2-[3-(methoxymethyl)piperidin-1-yl]cyclopentyl]methanamine
CID 106586143
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]butan-1-amine;dihydrochloride
CID 112756302

Frequently Asked Questions

What is the IUPAC name of [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride?
The IUPAC name of [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride (CID 119056746) is [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride.
What is the SMILES notation for [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride?
The canonical SMILES for [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride is Cl.NCC1CCCN2CCCC[C@H]12.
What is the InChIKey of [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride?
The InChIKey is LAGDTPPZKWZXDS-FJYJDOHQSA-N. The full InChI is InChI=1S/C10H20N2.ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;/h9-10H,1-8,11H2;1H/t9?,10-;/m1./s1.
What are the key properties of [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride?
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride has a molecular weight of 204.74 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride is sourced from PubChem (CID 119056746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).