2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine

C16H24N2 — CID 123689422

IUPAC2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine
SMILES[H]/N=C1\CCCC2=C1C(C)CC1C2C=C(C)CN1C
InChIInChI=1S/C16H24N2/c1-10-7-13-12-5-4-6-14(17)16(12)11(2)8-15(13)18(3)9-10/h7,11,13,15,17H,4-6,8-9H2,1-3H3/b17-14+
InChIKeyGCTONOFHJPNCCP-SAPNQHFASA-N
MW244.38 g/mol
LogP3.40
Rot. Bonds

About 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine

2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine (PubChem CID 123689422) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine.

Molecular Properties

Compound Name2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine
PubChem CID123689422
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine
SMILES[H]/N=C1\CCCC2=C1C(C)CC1C2C=C(C)CN1C
InChIInChI=1S/C16H24N2/c1-10-7-13-12-5-4-6-14(17)16(12)11(2)8-15(13)18(3)9-10/h7,11,13,15,17H,4-6,8-9H2,1-3H3/b17-14+
InChIKeyGCTONOFHJPNCCP-SAPNQHFASA-N
XLogP3.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine?
The IUPAC name of 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine (CID 123689422) is 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine.
What is the SMILES notation for 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine?
The canonical SMILES for 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine is [H]/N=C1\CCCC2=C1C(C)CC1C2C=C(C)CN1C.
What is the InChIKey of 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine?
The InChIKey is GCTONOFHJPNCCP-SAPNQHFASA-N. The full InChI is InChI=1S/C16H24N2/c1-10-7-13-12-5-4-6-14(17)16(12)11(2)8-15(13)18(3)9-10/h7,11,13,15,17H,4-6,8-9H2,1-3H3/b17-14+.
What are the key properties of 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine?
2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine has a molecular weight of 244.38 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3,4a,5,6,8,9,10,10b-octahydrobenzo[f]quinolin-7-imine is sourced from PubChem (CID 123689422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).