5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]

C17H22N2 — CID 71192594

IUPAC5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]
SMILESCC1=CC2=C(NC1)C1=NC=C(C)CC1C21CCCC1
InChIInChI=1S/C17H22N2/c1-11-7-13-15(18-9-11)16-14(8-12(2)10-19-16)17(13)5-3-4-6-17/h7,10,14,18H,3-6,8-9H2,1-2H3
InChIKeyDJVDBAOCLMOKTG-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.73
Rot. Bonds

About 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]

5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane] (PubChem CID 71192594) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane].

Molecular Properties

Compound Name5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]
PubChem CID71192594
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]
SMILESCC1=CC2=C(NC1)C1=NC=C(C)CC1C21CCCC1
InChIInChI=1S/C17H22N2/c1-11-7-13-15(18-9-11)16-14(8-12(2)10-19-16)17(13)5-3-4-6-17/h7,10,14,18H,3-6,8-9H2,1-2H3
InChIKeyDJVDBAOCLMOKTG-UHFFFAOYSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]?
The IUPAC name of 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane] (CID 71192594) is 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane].
What is the SMILES notation for 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]?
The canonical SMILES for 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane] is CC1=CC2=C(NC1)C1=NC=C(C)CC1C21CCCC1.
What is the InChIKey of 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]?
The InChIKey is DJVDBAOCLMOKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-7-13-15(18-9-11)16-14(8-12(2)10-19-16)17(13)5-3-4-6-17/h7,10,14,18H,3-6,8-9H2,1-2H3.
What are the key properties of 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane]?
5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane] has a molecular weight of 254.38 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene-8,1'-cyclopentane] is sourced from PubChem (CID 71192594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).