7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C20H29N3O — CID 18333165

IUPAC7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESCN(C)CCc1c[nH]c2ccc(C3(O)CCN4CCCC4C3)cc12
InChIInChI=1S/C20H29N3O/c1-22(2)10-7-15-14-21-19-6-5-16(12-18(15)19)20(24)8-11-23-9-3-4-17(23)13-20/h5-6,12,14,17,21,24H,3-4,7-11,13H2,1-2H3
InChIKeyZFCCUMBGKXHQCT-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.72
Rot. Bonds4

About 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 18333165) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID18333165
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESCN(C)CCc1c[nH]c2ccc(C3(O)CCN4CCCC4C3)cc12
InChIInChI=1S/C20H29N3O/c1-22(2)10-7-15-14-21-19-6-5-16(12-18(15)19)20(24)8-11-23-9-3-4-17(23)13-20/h5-6,12,14,17,21,24H,3-4,7-11,13H2,1-2H3
InChIKeyZFCCUMBGKXHQCT-UHFFFAOYSA-N
XLogP2.72
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol with MolForge

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Related Compounds

Indole-3-Carbinol
CID 3712
L-741,626
CID 133633
3-(2-(Dimethylamino)ethyl)-1H-indol-6-ol
CID 15124
Fumigaclavine B
CID 21589072
(-)-Fumigaclavine B
CID 12309937
3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol
CID 2438
4-HO-pyr-T
CID 21854226
3-(2-Dimethylamino-propyl)-1H-indol-4-ol
CID 44404906
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CID 169764
1''-[4-(1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10473699
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 18333165) is 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is CN(C)CCc1c[nH]c2ccc(C3(O)CCN4CCCC4C3)cc12.
What is the InChIKey of 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is ZFCCUMBGKXHQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-22(2)10-7-15-14-21-19-6-5-16(12-18(15)19)20(24)8-11-23-9-3-4-17(23)13-20/h5-6,12,14,17,21,24H,3-4,7-11,13H2,1-2H3.
What are the key properties of 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 327.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 18333165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).