12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene

C14H24N2 — CID 167070735

IUPAC12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene
SMILESCC1=NNC=C2CCCCCCCCCC21
InChIInChI=1S/C14H24N2/c1-12-14-10-8-6-4-2-3-5-7-9-13(14)11-15-16-12/h11,14-15H,2-10H2,1H3
InChIKeyKNIBBNAPLYBVGM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.99
Rot. Bonds

About 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene

12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene (PubChem CID 167070735) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene.

Molecular Properties

Compound Name12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene
PubChem CID167070735
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene
SMILESCC1=NNC=C2CCCCCCCCCC21
InChIInChI=1S/C14H24N2/c1-12-14-10-8-6-4-2-3-5-7-9-13(14)11-15-16-12/h11,14-15H,2-10H2,1H3
InChIKeyKNIBBNAPLYBVGM-UHFFFAOYSA-N
XLogP3.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene?
The IUPAC name of 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene (CID 167070735) is 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene.
What is the SMILES notation for 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene?
The canonical SMILES for 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene is CC1=NNC=C2CCCCCCCCCC21.
What is the InChIKey of 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene?
The InChIKey is KNIBBNAPLYBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-14-10-8-6-4-2-3-5-7-9-13(14)11-15-16-12/h11,14-15H,2-10H2,1H3.
What are the key properties of 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene?
12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene has a molecular weight of 220.36 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-13,14-diazabicyclo[9.4.0]pentadeca-1(15),12-diene is sourced from PubChem (CID 167070735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).