(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene

C15H20N2 — CID 86593178

IUPAC(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene
SMILESc1cc2c3c(c1)[C@H]1CNCCC[C@H]1N3CCC2
InChIInChI=1S/C15H20N2/c1-4-11-5-3-9-17-14-7-2-8-16-10-13(14)12(6-1)15(11)17/h1,4,6,13-14,16H,2-3,5,7-10H2/t13-,14-/m1/s1
InChIKeyZHCZPVOZDMRRNL-ZIAGYGMSSA-N
MW228.34 g/mol
LogP2.29
Rot. Bonds

About (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene

(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene (PubChem CID 86593178) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene.

Molecular Properties

Compound Name(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene
PubChem CID86593178
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene
SMILESc1cc2c3c(c1)[C@H]1CNCCC[C@H]1N3CCC2
InChIInChI=1S/C15H20N2/c1-4-11-5-3-9-17-14-7-2-8-16-10-13(14)12(6-1)15(11)17/h1,4,6,13-14,16H,2-3,5,7-10H2/t13-,14-/m1/s1
InChIKeyZHCZPVOZDMRRNL-ZIAGYGMSSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 20576995
(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 137458700
(10R,15S)-7-(2,3-difluorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
CID 69433357
1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 22036799
(10S,15R)-7-(3,5-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
CID 10269804
(2R,7R)-5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene;dihydrochloride
CID 172765644
(10R,14S)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one;hydrochloride
CID 131724527
(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302498
(10R,15S)-4-ethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302497
10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 162018965
(10R,15S)-7-(2-chloro-4-methoxyphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
CID 69433292
3-[2,4-bis(trifluoromethyl)phenyl]-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 22021760

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene?
The IUPAC name of (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene (CID 86593178) is (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene.
What is the SMILES notation for (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene?
The canonical SMILES for (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene is c1cc2c3c(c1)[C@H]1CNCCC[C@H]1N3CCC2.
What is the InChIKey of (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene?
The InChIKey is ZHCZPVOZDMRRNL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-11-5-3-9-17-14-7-2-8-16-10-13(14)12(6-1)15(11)17/h1,4,6,13-14,16H,2-3,5,7-10H2/t13-,14-/m1/s1.
What are the key properties of (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene?
(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene has a molecular weight of 228.34 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene is sourced from PubChem (CID 86593178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).