8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone

C40H58N4O3Si — CID 67638710

IUPAC8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone
SMILESCCC1Cc2c(n([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(=O)O)cc23)C(N)C1.CCNC1CCc2[nH]c3ccc(C(C)=O)cc3c2C1
InChIInChI=1S/C24H38N2O2Si.C16H20N2O/c1-8-17-11-20-19-13-18(24(27)28)9-10-22(19)26(23(20)21(25)12-17)29(14(2)3,15(4)5)16(6)7;1-3-17-12-5-7-16-14(9-12)13-8-11(10(2)19)4-6-15(13)18-16/h9-10,13-17,21H,8,11-12,25H2,1-7H3,(H,27,28);4,6,8,12,17-18H,3,5,7,9H2,1-2H3
InChIKeyKBYDRVGMTRFQMV-UHFFFAOYSA-N
MW671.02 g/mol
LogP9.17
Rot. Bonds9

About 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone

8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone (PubChem CID 67638710) has the molecular formula C40H58N4O3Si and a molecular weight of 671.02 g/mol. Its IUPAC name is 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone.

Molecular Properties

Compound Name8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone
PubChem CID67638710
Molecular FormulaC40H58N4O3Si
Molecular Weight671.02 g/mol
Exact Mass670.43
IUPAC Name8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone
SMILESCCC1Cc2c(n([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(=O)O)cc23)C(N)C1.CCNC1CCc2[nH]c3ccc(C(C)=O)cc3c2C1
InChIInChI=1S/C24H38N2O2Si.C16H20N2O/c1-8-17-11-20-19-13-18(24(27)28)9-10-22(19)26(23(20)21(25)12-17)29(14(2)3,15(4)5)16(6)7;1-3-17-12-5-7-16-14(9-12)13-8-11(10(2)19)4-6-15(13)18-16/h9-10,13-17,21H,8,11-12,25H2,1-7H3,(H,27,28);4,6,8,12,17-18H,3,5,7,9H2,1-2H3
InChIKeyKBYDRVGMTRFQMV-UHFFFAOYSA-N
XLogP9.17
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.02
LogP ≤ 59.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone?
The IUPAC name of 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone (CID 67638710) is 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone.
What is the SMILES notation for 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone?
The canonical SMILES for 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone is CCC1Cc2c(n([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(=O)O)cc23)C(N)C1.CCNC1CCc2[nH]c3ccc(C(C)=O)cc3c2C1.
What is the InChIKey of 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone?
The InChIKey is KBYDRVGMTRFQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2Si.C16H20N2O/c1-8-17-11-20-19-13-18(24(27)28)9-10-22(19)26(23(20)21(25)12-17)29(14(2)3,15(4)5)16(6)7;1-3-17-12-5-7-16-14(9-12)13-8-11(10(2)19)4-6-15(13)18-16/h9-10,13-17,21H,8,11-12,25H2,1-7H3,(H,27,28);4,6,8,12,17-18H,3,5,7,9H2,1-2H3.
What are the key properties of 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone?
8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone has a molecular weight of 671.02 g/mol, XLogP of 9.17, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-ethyl-9-tri(propan-2-yl)silyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid;1-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]ethanone is sourced from PubChem (CID 67638710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).