6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene

C14H17N — CID 144848348

IUPAC6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=C(C23C=NC=CC2(C)C3)CCC=C1
InChIInChI=1S/C14H17N/c1-11-5-3-4-6-12(11)14-9-13(14,2)7-8-15-10-14/h3,5,7-8,10H,4,6,9H2,1-2H3
InChIKeyNPBRXZGVSVMNFL-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.65
Rot. Bonds1

About 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene

6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 144848348) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID144848348
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=C(C23C=NC=CC2(C)C3)CCC=C1
InChIInChI=1S/C14H17N/c1-11-5-3-4-6-12(11)14-9-13(14,2)7-8-15-10-14/h3,5,7-8,10H,4,6,9H2,1-2H3
InChIKeyNPBRXZGVSVMNFL-UHFFFAOYSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 144848348) is 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene is CC1=C(C23C=NC=CC2(C)C3)CCC=C1.
What is the InChIKey of 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is NPBRXZGVSVMNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11-5-3-4-6-12(11)14-9-13(14,2)7-8-15-10-14/h3,5,7-8,10H,4,6,9H2,1-2H3.
What are the key properties of 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene?
6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 199.30 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylcyclohexa-1,3-dien-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 144848348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).