(15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene

C20H24N2 — CID 58381647

IUPAC(15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene
SMILESCC1(C)C[C@]2(C)C=CCN3CCc4c(n1c1ccccc41)[C@@H]32
InChIInChI=1S/C20H24N2/c1-19(2)13-20(3)10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(19)17(15)18(20)21/h4-8,10,18H,9,11-13H2,1-3H3/t18-,20+/m1/s1
InChIKeyHEQWJEYABGOZBX-QUCCMNQESA-N
MW292.43 g/mol
LogP4.26
Rot. Bonds

About (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene

(15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene (PubChem CID 58381647) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene.

Molecular Properties

Compound Name(15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene
PubChem CID58381647
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene
SMILESCC1(C)C[C@]2(C)C=CCN3CCc4c(n1c1ccccc41)[C@@H]32
InChIInChI=1S/C20H24N2/c1-19(2)13-20(3)10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(19)17(15)18(20)21/h4-8,10,18H,9,11-13H2,1-3H3/t18-,20+/m1/s1
InChIKeyHEQWJEYABGOZBX-QUCCMNQESA-N
XLogP4.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene with MolForge

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Related Compounds

(15S,16R,18S,20S)-16-methyl-17-oxa-1,11-diazahexacyclo[9.7.2.115,18.02,7.08,19.015,20]henicosa-2,4,6,8(19),13-pentaene
CID 71501404
(15S,19S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaen-17-one
CID 165367535
(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 15559073
(15S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 15559074
methyl (15R,17R)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 16757745
methyl (15R,17R,19R)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 6546955
methyl (13S,15S,17R,19R)-15-ethyl-13,17-dihydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 101436140
methyl (13S,15S,17S,19S)-15-ethyl-13,17-dihydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 101436138
1-[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-15-yl]ethanone
CID 162946036
(2R,3S,8S)-3,8-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene
CID 97305109
(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 23242606
1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 68817099

Frequently Asked Questions

What is the IUPAC name of (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene?
The IUPAC name of (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene (CID 58381647) is (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene.
What is the SMILES notation for (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene?
The canonical SMILES for (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene is CC1(C)C[C@]2(C)C=CCN3CCc4c(n1c1ccccc41)[C@@H]32.
What is the InChIKey of (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene?
The InChIKey is HEQWJEYABGOZBX-QUCCMNQESA-N. The full InChI is InChI=1S/C20H24N2/c1-19(2)13-20(3)10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(19)17(15)18(20)21/h4-8,10,18H,9,11-13H2,1-3H3/t18-,20+/m1/s1.
What are the key properties of (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene?
(15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene has a molecular weight of 292.43 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19S)-15,17,17-trimethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene is sourced from PubChem (CID 58381647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).