4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C15H18N2 — CID 66848577

IUPAC4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cccc2c1c1c(n2C)CC2CCC1N2
InChIInChI=1S/C15H18N2/c1-9-4-3-5-12-14(9)15-11-7-6-10(16-11)8-13(15)17(12)2/h3-5,10-11,16H,6-8H2,1-2H3
InChIKeyRNTIVZJFKZAYDQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.84
Rot. Bonds

About 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 66848577) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID66848577
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cccc2c1c1c(n2C)CC2CCC1N2
InChIInChI=1S/C15H18N2/c1-9-4-3-5-12-14(9)15-11-7-6-10(16-11)8-13(15)17(12)2/h3-5,10-11,16H,6-8H2,1-2H3
InChIKeyRNTIVZJFKZAYDQ-UHFFFAOYSA-N
XLogP2.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 66848577) is 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Cc1cccc2c1c1c(n2C)CC2CCC1N2.
What is the InChIKey of 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is RNTIVZJFKZAYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-9-4-3-5-12-14(9)15-11-7-6-10(16-11)8-13(15)17(12)2/h3-5,10-11,16H,6-8H2,1-2H3.
What are the key properties of 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 226.32 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 66848577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).