(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene

C15H18N2 — CID 168939672

IUPAC(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
SMILESc1ccc2c3c([nH]c2c1)C[C@@H]1CCCN1CC3
InChIInChI=1S/C15H18N2/c1-2-6-14-12(5-1)13-7-9-17-8-3-4-11(17)10-15(13)16-14/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
InChIKeyJAUAHDLFNVBUQU-NSHDSACASA-N
MW226.32 g/mol
LogP2.73
Rot. Bonds

About (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene

(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene (PubChem CID 168939672) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene.

Molecular Properties

Compound Name(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
PubChem CID168939672
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
SMILESc1ccc2c3c([nH]c2c1)C[C@@H]1CCCN1CC3
InChIInChI=1S/C15H18N2/c1-2-6-14-12(5-1)13-7-9-17-8-3-4-11(17)10-15(13)16-14/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
InChIKeyJAUAHDLFNVBUQU-NSHDSACASA-N
XLogP2.73
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)ethanol
CID 68817015
(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
CID 12868332
(3R)-2-cyclobutyl-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 154987704
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
2-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-2-ol
CID 10171643
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
1-[(1R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]ethanone;ethane
CID 90962597
3-methyl-4-propyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 177206921
N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
CID 10292753
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 129405284
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713

Frequently Asked Questions

What is the IUPAC name of (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene?
The IUPAC name of (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene (CID 168939672) is (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene.
What is the SMILES notation for (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene?
The canonical SMILES for (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene is c1ccc2c3c([nH]c2c1)C[C@@H]1CCCN1CC3.
What is the InChIKey of (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene?
The InChIKey is JAUAHDLFNVBUQU-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2/c1-2-6-14-12(5-1)13-7-9-17-8-3-4-11(17)10-15(13)16-14/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1.
What are the key properties of (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene?
(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene has a molecular weight of 226.32 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene is sourced from PubChem (CID 168939672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).