N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine

C10H18N2 — CID 123140461

IUPACN-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine
SMILESC=NC12CCCCN1CCCC2
InChIInChI=1S/C10H18N2/c1-11-10-6-2-4-8-12(10)9-5-3-7-10/h1-9H2
InChIKeyFMOCKLPEERKJLC-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.05
Rot. Bonds1

About N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine

N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine (PubChem CID 123140461) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine.

Molecular Properties

Compound NameN-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine
PubChem CID123140461
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine
SMILESC=NC12CCCCN1CCCC2
InChIInChI=1S/C10H18N2/c1-11-10-6-2-4-8-12(10)9-5-3-7-10/h1-9H2
InChIKeyFMOCKLPEERKJLC-UHFFFAOYSA-N
XLogP2.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine?
The IUPAC name of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine (CID 123140461) is N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine.
What is the SMILES notation for N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine?
The canonical SMILES for N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine is C=NC12CCCCN1CCCC2.
What is the InChIKey of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine?
The InChIKey is FMOCKLPEERKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-11-10-6-2-4-8-12(10)9-5-3-7-10/h1-9H2.
What are the key properties of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine?
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine has a molecular weight of 166.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)methanimine is sourced from PubChem (CID 123140461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).