17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

C17H17N — CID 10130892

IUPAC17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESCN1CC2c3ccccc3CC1c1ccccc12
InChIInChI=1S/C17H17N/c1-18-11-16-13-7-3-2-6-12(13)10-17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10-11H2,1H3
InChIKeyPIGZXJLBRSZWDM-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.36
Rot. Bonds

About 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (PubChem CID 10130892) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
PubChem CID10130892
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESCN1CC2c3ccccc3CC1c1ccccc12
InChIInChI=1S/C17H17N/c1-18-11-16-13-7-3-2-6-12(13)10-17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10-11H2,1H3
InChIKeyPIGZXJLBRSZWDM-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene with MolForge

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Related Compounds

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Mcn 4612
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6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
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2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
CID 436347
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1,16-Dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
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CID 10421583

Frequently Asked Questions

What is the IUPAC name of 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (CID 10130892) is 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is CN1CC2c3ccccc3CC1c1ccccc12.
What is the InChIKey of 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The InChIKey is PIGZXJLBRSZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-18-11-16-13-7-3-2-6-12(13)10-17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene has a molecular weight of 235.33 g/mol, XLogP of 3.36, 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[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 10130892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).