6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine

C14H23N — CID 54384078

IUPAC6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine
SMILESCC1CC2CCCCN2C2CCC=CC12
InChIInChI=1S/C14H23N/c1-11-10-12-6-4-5-9-15(12)14-8-3-2-7-13(11)14/h2,7,11-14H,3-6,8-10H2,1H3
InChIKeyVBZQVXRLXAGRTL-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.22
Rot. Bonds

About 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine

6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine (PubChem CID 54384078) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine.

Molecular Properties

Compound Name6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine
PubChem CID54384078
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine
SMILESCC1CC2CCCCN2C2CCC=CC12
InChIInChI=1S/C14H23N/c1-11-10-12-6-4-5-9-15(12)14-8-3-2-7-13(11)14/h2,7,11-14H,3-6,8-10H2,1H3
InChIKeyVBZQVXRLXAGRTL-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine?
The IUPAC name of 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine (CID 54384078) is 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine.
What is the SMILES notation for 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine?
The canonical SMILES for 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine is CC1CC2CCCCN2C2CCC=CC12.
What is the InChIKey of 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine?
The InChIKey is VBZQVXRLXAGRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-10-12-6-4-5-9-15(12)14-8-3-2-7-13(11)14/h2,7,11-14H,3-6,8-10H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine?
6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine has a molecular weight of 205.34 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a,5,6,6a,9,10,10a-decahydro-1H-benzo[c]quinolizine is sourced from PubChem (CID 54384078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).