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

C16H25N — CID 71119968

IUPAC7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
SMILESCC1C2C=CC3=C(NCCCC3(C)C)C1C2C
InChIInChI=1S/C16H25N/c1-10-12-6-7-13-15(14(10)11(12)2)17-9-5-8-16(13,3)4/h6-7,10-12,14,17H,5,8-9H2,1-4H3
InChIKeyIQDCNQPFGYWKID-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds

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

7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene (PubChem CID 71119968) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene.

Molecular Properties

Compound Name7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
PubChem CID71119968
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
SMILESCC1C2C=CC3=C(NCCCC3(C)C)C1C2C
InChIInChI=1S/C16H25N/c1-10-12-6-7-13-15(14(10)11(12)2)17-9-5-8-16(13,3)4/h6-7,10-12,14,17H,5,8-9H2,1-4H3
InChIKeyIQDCNQPFGYWKID-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
The IUPAC name of 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene (CID 71119968) is 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene.
What is the SMILES notation for 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
The canonical SMILES for 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene is CC1C2C=CC3=C(NCCCC3(C)C)C1C2C.
What is the InChIKey of 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
The InChIKey is IQDCNQPFGYWKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-10-12-6-7-13-15(14(10)11(12)2)17-9-5-8-16(13,3)4/h6-7,10-12,14,17H,5,8-9H2,1-4H3.
What are the key properties of 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene?
7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene has a molecular weight of 231.38 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,12,13-tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene is sourced from PubChem (CID 71119968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).