11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene

C15H22N2 — CID 90715431

IUPAC11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene
SMILESC1CCC2CC3=NC4CCCC4N=C3CC2C1
InChIInChI=1S/C15H22N2/c1-2-5-11-9-15-14(8-10(11)4-1)16-12-6-3-7-13(12)17-15/h10-13H,1-9H2
InChIKeyIGVQOIWRPLFOLN-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.40
Rot. Bonds

About 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene

11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene (PubChem CID 90715431) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene.

Molecular Properties

Compound Name11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene
PubChem CID90715431
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene
SMILESC1CCC2CC3=NC4CCCC4N=C3CC2C1
InChIInChI=1S/C15H22N2/c1-2-5-11-9-15-14(8-10(11)4-1)16-12-6-3-7-13(12)17-15/h10-13H,1-9H2
InChIKeyIGVQOIWRPLFOLN-UHFFFAOYSA-N
XLogP3.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile
CID 13380464
5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 148721233
(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 13462494
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
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CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
CID 121223689
2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene
CID 58823851
tricyclo[11.3.0.05,9]hexadecane
CID 154595560

Frequently Asked Questions

What is the IUPAC name of 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene?
The IUPAC name of 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene (CID 90715431) is 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene.
What is the SMILES notation for 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene?
The canonical SMILES for 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene is C1CCC2CC3=NC4CCCC4N=C3CC2C1.
What is the InChIKey of 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene?
The InChIKey is IGVQOIWRPLFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-5-11-9-15-14(8-10(11)4-1)16-12-6-3-7-13(12)17-15/h10-13H,1-9H2.
What are the key properties of 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene?
11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene has a molecular weight of 230.35 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene is sourced from PubChem (CID 90715431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).