(15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene

C18H20N2 — CID 67736845

IUPAC(15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
SMILESCC1=Cn2c3c(c4ccccc42)CCN2CCC[C@H]1[C@@H]32
InChIInChI=1S/C18H20N2/c1-12-11-20-16-7-3-2-5-14(16)15-8-10-19-9-4-6-13(12)17(19)18(15)20/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3/t13-,17+/m1/s1
InChIKeyQXMDUIJPIDBCMY-DYVFJYSZSA-N
MW264.37 g/mol
LogP3.82
Rot. Bonds

About (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene

(15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene (PubChem CID 67736845) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene.

Molecular Properties

Compound Name(15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
PubChem CID67736845
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
SMILESCC1=Cn2c3c(c4ccccc42)CCN2CCC[C@H]1[C@@H]32
InChIInChI=1S/C18H20N2/c1-12-11-20-16-7-3-2-5-14(16)15-8-10-19-9-4-6-13(12)17(19)18(15)20/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3/t13-,17+/m1/s1
InChIKeyQXMDUIJPIDBCMY-DYVFJYSZSA-N
XLogP3.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene?
The IUPAC name of (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene (CID 67736845) is (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene.
What is the SMILES notation for (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene?
The canonical SMILES for (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene is CC1=Cn2c3c(c4ccccc42)CCN2CCC[C@H]1[C@@H]32.
What is the InChIKey of (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene?
The InChIKey is QXMDUIJPIDBCMY-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-11-20-16-7-3-2-5-14(16)15-8-10-19-9-4-6-13(12)17(19)18(15)20/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3/t13-,17+/m1/s1.
What are the key properties of (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene?
(15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene has a molecular weight of 264.37 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene is sourced from PubChem (CID 67736845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).