2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene

C19H31N — CID 146249464

IUPAC2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene
SMILESC=C1C2=C(N=C(C)CC1C)C(C)(C)CCCCC2(C)C
InChIInChI=1S/C19H31N/c1-13-12-14(2)20-17-16(15(13)3)18(4,5)10-8-9-11-19(17,6)7/h13H,3,8-12H2,1-2,4-7H3
InChIKeyVABWMMBQLCKMER-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.92
Rot. Bonds

About 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene

2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene (PubChem CID 146249464) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene.

Molecular Properties

Compound Name2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene
PubChem CID146249464
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene
SMILESC=C1C2=C(N=C(C)CC1C)C(C)(C)CCCCC2(C)C
InChIInChI=1S/C19H31N/c1-13-12-14(2)20-17-16(15(13)3)18(4,5)10-8-9-11-19(17,6)7/h13H,3,8-12H2,1-2,4-7H3
InChIKeyVABWMMBQLCKMER-UHFFFAOYSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene?
The IUPAC name of 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene (CID 146249464) is 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene.
What is the SMILES notation for 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene?
The canonical SMILES for 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene is C=C1C2=C(N=C(C)CC1C)C(C)(C)CCCCC2(C)C.
What is the InChIKey of 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene?
The InChIKey is VABWMMBQLCKMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-13-12-14(2)20-17-16(15(13)3)18(4,5)10-8-9-11-19(17,6)7/h13H,3,8-12H2,1-2,4-7H3.
What are the key properties of 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene?
2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene has a molecular weight of 273.46 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7,10,12-hexamethyl-13-methylidene-9-azabicyclo[6.5.0]trideca-1(8),9-diene is sourced from PubChem (CID 146249464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).