3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene

C18H29N — CID 71119977

IUPAC3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
SMILESCC1C2C=CC3=C(C1C2C)N(C)CCC(C)C3(C)C
InChIInChI=1S/C18H29N/c1-11-9-10-19(6)17-15(18(11,4)5)8-7-14-12(2)16(17)13(14)3/h7-8,11-14,16H,9-10H2,1-6H3
InChIKeyNRPZWCFNLSJPFN-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.33
Rot. Bonds

About 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene

3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene (PubChem CID 71119977) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene.

Molecular Properties

Compound Name3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
PubChem CID71119977
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
SMILESCC1C2C=CC3=C(C1C2C)N(C)CCC(C)C3(C)C
InChIInChI=1S/C18H29N/c1-11-9-10-19(6)17-15(18(11,4)5)8-7-14-12(2)16(17)13(14)3/h7-8,11-14,16H,9-10H2,1-6H3
InChIKeyNRPZWCFNLSJPFN-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
The IUPAC name of 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene (CID 71119977) is 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene.
What is the SMILES notation for 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
The canonical SMILES for 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene is CC1C2C=CC3=C(C1C2C)N(C)CCC(C)C3(C)C.
What is the InChIKey of 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
The InChIKey is NRPZWCFNLSJPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-11-9-10-19(6)17-15(18(11,4)5)8-7-14-12(2)16(17)13(14)3/h7-8,11-14,16H,9-10H2,1-6H3.
What are the key properties of 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene has a molecular weight of 259.44 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene is sourced from PubChem (CID 71119977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).