1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine

C13H20N2 — CID 90913614

IUPAC1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine
SMILES[H]/N=C1\CCN2CCC3CCC=CC3C2C1
InChIInChI=1S/C13H20N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h2,4,10,12-14H,1,3,5-9H2/b14-11+
InChIKeyYXGGVESMNVYSDH-SDNWHVSQSA-N
MW204.32 g/mol
LogP2.46
Rot. Bonds

About 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine

1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine (PubChem CID 90913614) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine.

Molecular Properties

Compound Name1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine
PubChem CID90913614
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine
SMILES[H]/N=C1\CCN2CCC3CCC=CC3C2C1
InChIInChI=1S/C13H20N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h2,4,10,12-14H,1,3,5-9H2/b14-11+
InChIKeyYXGGVESMNVYSDH-SDNWHVSQSA-N
XLogP2.46
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine
CID 54384078
7-(1-Methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline
CID 57177279
3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
CID 163106953
(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
CID 163106954

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine?
The IUPAC name of 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine (CID 90913614) is 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine.
What is the SMILES notation for 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine?
The canonical SMILES for 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine is [H]/N=C1\CCN2CCC3CCC=CC3C2C1.
What is the InChIKey of 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine?
The InChIKey is YXGGVESMNVYSDH-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H20N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h2,4,10,12-14H,1,3,5-9H2/b14-11+.
What are the key properties of 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine?
1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine has a molecular weight of 204.32 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,7a,8,9,11a,11b-decahydrobenzo[a]quinolizin-2-imine is sourced from PubChem (CID 90913614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).