9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene

C14H23N — CID 90701112

IUPAC9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene
SMILESCC1=C2CCCCCCC(C2)C(C)N=C1
InChIInChI=1S/C14H23N/c1-11-10-15-12(2)14-8-6-4-3-5-7-13(11)9-14/h10,12,14H,3-9H2,1-2H3
InChIKeyRQCVYZMKHAMBHR-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.14
Rot. Bonds

About 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene

9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene (PubChem CID 90701112) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene.

Molecular Properties

Compound Name9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene
PubChem CID90701112
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene
SMILESCC1=C2CCCCCCC(C2)C(C)N=C1
InChIInChI=1S/C14H23N/c1-11-10-15-12(2)14-8-6-4-3-5-7-13(11)9-14/h10,12,14H,3-9H2,1-2H3
InChIKeyRQCVYZMKHAMBHR-UHFFFAOYSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene?
The IUPAC name of 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene (CID 90701112) is 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene.
What is the SMILES notation for 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene?
The canonical SMILES for 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene is CC1=C2CCCCCCC(C2)C(C)N=C1.
What is the InChIKey of 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene?
The InChIKey is RQCVYZMKHAMBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-10-15-12(2)14-8-6-4-3-5-7-13(11)9-14/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene?
9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene has a molecular weight of 205.34 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene is sourced from PubChem (CID 90701112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).