17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene

C19H19N — CID 12566036

IUPAC17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene
SMILESCN1CCc2c(c3ccccc3c3ccccc23)CC1
InChIInChI=1S/C19H19N/c1-20-12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19(18)11-13-20/h2-9H,10-13H2,1H3
InChIKeyFWWVJHNCRWJMAV-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.02
Rot. Bonds

About 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene

17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 12566036) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID12566036
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene
SMILESCN1CCc2c(c3ccccc3c3ccccc23)CC1
InChIInChI=1S/C19H19N/c1-20-12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19(18)11-13-20/h2-9H,10-13H2,1H3
InChIKeyFWWVJHNCRWJMAV-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene (CID 12566036) is 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene is CN1CCc2c(c3ccccc3c3ccccc23)CC1.
What is the InChIKey of 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is FWWVJHNCRWJMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-20-12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19(18)11-13-20/h2-9H,10-13H2,1H3.
What are the key properties of 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene?
17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 261.37 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 12566036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).