11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene

C19H20N2 — CID 129308981

IUPAC11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene
SMILESCC1c2ccccc2N2c3ccccc3N3CCC1(C)C32
InChIInChI=1S/C19H20N2/c1-13-14-7-3-4-8-15(14)21-17-10-6-5-9-16(17)20-12-11-19(13,2)18(20)21/h3-10,13,18H,11-12H2,1-2H3
InChIKeyCYPGULNIQULNKJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.50
Rot. Bonds

About 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene

11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene (PubChem CID 129308981) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene.

Molecular Properties

Compound Name11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene
PubChem CID129308981
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene
SMILESCC1c2ccccc2N2c3ccccc3N3CCC1(C)C32
InChIInChI=1S/C19H20N2/c1-13-14-7-3-4-8-15(14)21-17-10-6-5-9-16(17)20-12-11-19(13,2)18(20)21/h3-10,13,18H,11-12H2,1-2H3
InChIKeyCYPGULNIQULNKJ-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene?
The IUPAC name of 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene (CID 129308981) is 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene.
What is the SMILES notation for 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene?
The canonical SMILES for 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene is CC1c2ccccc2N2c3ccccc3N3CCC1(C)C32.
What is the InChIKey of 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene?
The InChIKey is CYPGULNIQULNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-14-7-3-4-8-15(14)21-17-10-6-5-9-16(17)20-12-11-19(13,2)18(20)21/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene?
11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene has a molecular weight of 276.38 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyl-1,8-diazapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-2,4,6,13,15,17-hexaene is sourced from PubChem (CID 129308981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).