(15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene

C21H30N2 — CID 146507207

IUPAC(15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene
SMILESCCC(C)C[C@H]1CC2c3[nH]c4ccccc4c3CCN(C1)C2C
InChIInChI=1S/C21H30N2/c1-4-14(2)11-16-12-19-15(3)23(13-16)10-9-18-17-7-5-6-8-20(17)22-21(18)19/h5-8,14-16,19,22H,4,9-13H2,1-3H3/t14?,15?,16-,19?/m0/s1
InChIKeyZSORIQUDLIZWTQ-LDWRGQNGSA-N
MW310.49 g/mol
LogP4.95
Rot. Bonds3

About (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene

(15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene (PubChem CID 146507207) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name(15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene
PubChem CID146507207
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name(15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene
SMILESCCC(C)C[C@H]1CC2c3[nH]c4ccccc4c3CCN(C1)C2C
InChIInChI=1S/C21H30N2/c1-4-14(2)11-16-12-19-15(3)23(13-16)10-9-18-17-7-5-6-8-20(17)22-21(18)19/h5-8,14-16,19,22H,4,9-13H2,1-3H3/t14?,15?,16-,19?/m0/s1
InChIKeyZSORIQUDLIZWTQ-LDWRGQNGSA-N
XLogP4.95
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-yl)ethanol
CID 73009182
2-[(1R,3S,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]acetonitrile
CID 11044585
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-ol
CID 73152734
(1R,15S,17R,18R)-17-ethyl-17-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
CID 139467483
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
(1S)-1-[(1S,3S,12bS)-1-(hydroxymethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]ethanol
CID 11022980
methyl (1S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 15287603
(2S,3R)-5-methyl-3-phenyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 10381147
1-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)ethanol
CID 68817015
(1R,15S,17R,18R)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-17-carbonitrile
CID 132522334
tert-butyl 3-[(1R,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propanoate
CID 100937961
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 129405284

Frequently Asked Questions

What is the IUPAC name of (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene?
The IUPAC name of (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene (CID 146507207) is (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene.
What is the SMILES notation for (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene?
The canonical SMILES for (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene is CCC(C)C[C@H]1CC2c3[nH]c4ccccc4c3CCN(C1)C2C.
What is the InChIKey of (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene?
The InChIKey is ZSORIQUDLIZWTQ-LDWRGQNGSA-N. The full InChI is InChI=1S/C21H30N2/c1-4-14(2)11-16-12-19-15(3)23(13-16)10-9-18-17-7-5-6-8-20(17)22-21(18)19/h5-8,14-16,19,22H,4,9-13H2,1-3H3/t14?,15?,16-,19?/m0/s1.
What are the key properties of (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene?
(15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene has a molecular weight of 310.49 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 146507207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).