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

C10H20N2 — CID 6358779

IUPAC[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine
SMILESNC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H20N2/c11-8-9-4-3-7-12-6-2-1-5-10(9)12/h9-10H,1-8,11H2/t9-,10+/m0/s1
InChIKeyWSBDCEJEINRUML-VHSXEESVSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds1

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

[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine (PubChem CID 6358779) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine.

Molecular Properties

Compound Name[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine
PubChem CID6358779
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine
SMILESNC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H20N2/c11-8-9-4-3-7-12-6-2-1-5-10(9)12/h9-10H,1-8,11H2/t9-,10+/m0/s1
InChIKeyWSBDCEJEINRUML-VHSXEESVSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine?
The IUPAC name of [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine (CID 6358779) is [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine.
What is the SMILES notation for [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine?
The canonical SMILES for [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine is NC[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine?
The InChIKey is WSBDCEJEINRUML-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20N2/c11-8-9-4-3-7-12-6-2-1-5-10(9)12/h9-10H,1-8,11H2/t9-,10+/m0/s1.
What are the key properties of [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine?
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine is sourced from PubChem (CID 6358779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).