(2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene

C17H18N2 — CID 54152678

IUPAC(2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene
SMILESC1=CN2Cc3ccccc3[C@@H]3CCCCC3=C2C=N1
InChIInChI=1S/C17H18N2/c1-2-6-14-13(5-1)12-19-10-9-18-11-17(19)16-8-4-3-7-15(14)16/h1-2,5-6,9-11,15H,3-4,7-8,12H2/t15-/m0/s1
InChIKeyOIVMGDORYIUBKV-HNNXBMFYSA-N
MW250.35 g/mol
LogP3.97
Rot. Bonds

About (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene

(2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene (PubChem CID 54152678) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene.

Molecular Properties

Compound Name(2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene
PubChem CID54152678
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name(2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene
SMILESC1=CN2Cc3ccccc3[C@@H]3CCCCC3=C2C=N1
InChIInChI=1S/C17H18N2/c1-2-6-14-13(5-1)12-19-10-9-18-11-17(19)16-8-4-3-7-15(14)16/h1-2,5-6,9-11,15H,3-4,7-8,12H2/t15-/m0/s1
InChIKeyOIVMGDORYIUBKV-HNNXBMFYSA-N
XLogP3.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene?
The IUPAC name of (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene (CID 54152678) is (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene.
What is the SMILES notation for (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene?
The canonical SMILES for (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene is C1=CN2Cc3ccccc3[C@@H]3CCCCC3=C2C=N1.
What is the InChIKey of (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene?
The InChIKey is OIVMGDORYIUBKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-6-14-13(5-1)12-19-10-9-18-11-17(19)16-8-4-3-7-15(14)16/h1-2,5-6,9-11,15H,3-4,7-8,12H2/t15-/m0/s1.
What are the key properties of (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene?
(2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene has a molecular weight of 250.35 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene is sourced from PubChem (CID 54152678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).