6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene

C19H33N — CID 91236892

IUPAC6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene
SMILESCCCC(CC(C)C(C)CC)C1C=CC=NC2CCC21
InChIInChI=1S/C19H33N/c1-5-8-16(13-15(4)14(3)6-2)17-9-7-12-20-19-11-10-18(17)19/h7,9,12,14-19H,5-6,8,10-11,13H2,1-4H3
InChIKeyNMEYNHROJADIAH-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.51
Rot. Bonds7

About 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene

6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene (PubChem CID 91236892) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene.

Molecular Properties

Compound Name6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene
PubChem CID91236892
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene
SMILESCCCC(CC(C)C(C)CC)C1C=CC=NC2CCC21
InChIInChI=1S/C19H33N/c1-5-8-16(13-15(4)14(3)6-2)17-9-7-12-20-19-11-10-18(17)19/h7,9,12,14-19H,5-6,8,10-11,13H2,1-4H3
InChIKeyNMEYNHROJADIAH-UHFFFAOYSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene with MolForge

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Related Compounds

2,11-Di(hexan-3-yl)-1-azacyclododeca-4,8,12-triene
CID 56981493
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629
2-Propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
CID 57272584
2-[1-(2,3-Dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
CID 67427102
(4E)-7,9,10-trimethyl-2-azabicyclo[6.1.1]deca-2,4-diene
CID 68391164
2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
CID 68391441
7-Ethyl-2-azabicyclo[4.1.1]octa-2,4-diene
CID 89138898

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene?
The IUPAC name of 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene (CID 91236892) is 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene.
What is the SMILES notation for 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene?
The canonical SMILES for 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene is CCCC(CC(C)C(C)CC)C1C=CC=NC2CCC21.
What is the InChIKey of 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene?
The InChIKey is NMEYNHROJADIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-8-16(13-15(4)14(3)6-2)17-9-7-12-20-19-11-10-18(17)19/h7,9,12,14-19H,5-6,8,10-11,13H2,1-4H3.
What are the key properties of 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene?
6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene has a molecular weight of 275.48 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethylnonan-4-yl)-2-azabicyclo[5.2.0]nona-2,4-diene is sourced from PubChem (CID 91236892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).