1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine

C11H22N2 — CID 83906718

IUPAC1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine
SMILESCC(N)C1CCCN2CCCCC12
InChIInChI=1S/C11H22N2/c1-9(12)10-5-4-8-13-7-3-2-6-11(10)13/h9-11H,2-8,12H2,1H3
InChIKeyKSRGLYBEVIFBPV-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds1

About 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine

1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine (PubChem CID 83906718) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine
PubChem CID83906718
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine
SMILESCC(N)C1CCCN2CCCCC12
InChIInChI=1S/C11H22N2/c1-9(12)10-5-4-8-13-7-3-2-6-11(10)13/h9-11H,2-8,12H2,1H3
InChIKeyKSRGLYBEVIFBPV-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine?
The IUPAC name of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine (CID 83906718) is 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine?
The canonical SMILES for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine is CC(N)C1CCCN2CCCCC12.
What is the InChIKey of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine?
The InChIKey is KSRGLYBEVIFBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(12)10-5-4-8-13-7-3-2-6-11(10)13/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine?
1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)ethanamine is sourced from PubChem (CID 83906718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).