6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene

C19H23N — CID 154684542

IUPAC6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene
SMILESCC1C=Cc2cc3c(nc2C=C1)=CCC(C(C)C)CC=3
InChIInChI=1S/C19H23N/c1-13(2)15-7-8-17-12-16-6-4-14(3)5-10-18(16)20-19(17)11-9-15/h4-6,8,10-15H,7,9H2,1-3H3
InChIKeyPXIFATLWKAVAGU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.38
Rot. Bonds1

About 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene

6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene (PubChem CID 154684542) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene.

Molecular Properties

Compound Name6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene
PubChem CID154684542
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene
SMILESCC1C=Cc2cc3c(nc2C=C1)=CCC(C(C)C)CC=3
InChIInChI=1S/C19H23N/c1-13(2)15-7-8-17-12-16-6-4-14(3)5-10-18(16)20-19(17)11-9-15/h4-6,8,10-15H,7,9H2,1-3H3
InChIKeyPXIFATLWKAVAGU-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene with MolForge

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Related Compounds

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CID 159882779
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CID 103561638

Frequently Asked Questions

What is the IUPAC name of 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene?
The IUPAC name of 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene (CID 154684542) is 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene.
What is the SMILES notation for 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene?
The canonical SMILES for 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene is CC1C=Cc2cc3c(nc2C=C1)=CCC(C(C)C)CC=3.
What is the InChIKey of 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene?
The InChIKey is PXIFATLWKAVAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13(2)15-7-8-17-12-16-6-4-14(3)5-10-18(16)20-19(17)11-9-15/h4-6,8,10-15H,7,9H2,1-3H3.
What are the key properties of 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene?
6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene has a molecular weight of 265.40 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-14-propan-2-yl-2-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11-hexaene is sourced from PubChem (CID 154684542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).