14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene

C16H18N2 — CID 11746693

IUPAC14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene
SMILESCn1ccc2c1CCN1CCc3ccccc3C21
InChIInChI=1S/C16H18N2/c1-17-9-7-14-15(17)8-11-18-10-6-12-4-2-3-5-13(12)16(14)18/h2-5,7,9,16H,6,8,10-11H2,1H3
InChIKeyYMBSJPOFTIRLJS-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds

About 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene

14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene (PubChem CID 11746693) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene.

Molecular Properties

Compound Name14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene
PubChem CID11746693
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene
SMILESCn1ccc2c1CCN1CCc3ccccc3C21
InChIInChI=1S/C16H18N2/c1-17-9-7-14-15(17)8-11-18-10-6-12-4-2-3-5-13(12)16(14)18/h2-5,7,9,16H,6,8,10-11H2,1H3
InChIKeyYMBSJPOFTIRLJS-UHFFFAOYSA-N
XLogP2.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene?
The IUPAC name of 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene (CID 11746693) is 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene.
What is the SMILES notation for 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene?
The canonical SMILES for 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene is Cn1ccc2c1CCN1CCc3ccccc3C21.
What is the InChIKey of 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene?
The InChIKey is YMBSJPOFTIRLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-17-9-7-14-15(17)8-11-18-10-6-12-4-2-3-5-13(12)16(14)18/h2-5,7,9,16H,6,8,10-11H2,1H3.
What are the key properties of 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene?
14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene has a molecular weight of 238.33 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-10,14-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene is sourced from PubChem (CID 11746693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).