2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride

C10H22Cl2N2 — CID 50944349

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CCCN2CCCCC12
InChIInChI=1S/C10H20N2.2ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;;/h9-10H,1-8,11H2;2*1H
InChIKeyCXPAMUCAFGMKMX-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.05
Rot. Bonds1

About 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride (PubChem CID 50944349) has the molecular formula C10H22Cl2N2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
PubChem CID50944349
Molecular FormulaC10H22Cl2N2
Molecular Weight241.21 g/mol
Exact Mass240.12
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CCCN2CCCCC12
InChIInChI=1S/C10H20N2.2ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;;/h9-10H,1-8,11H2;2*1H
InChIKeyCXPAMUCAFGMKMX-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride (CID 50944349) is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride is Cl.Cl.NCC1CCCN2CCCCC12.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride?
The InChIKey is CXPAMUCAFGMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;;/h9-10H,1-8,11H2;2*1H.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride?
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride has a molecular weight of 241.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride is sourced from PubChem (CID 50944349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).