6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol

C18H26N2O — CID 164872790

IUPAC6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol
SMILESCC(C)=CCc1cc(O)c2c(CN(C)C(C)C)c[nH]c2c1
InChIInChI=1S/C18H26N2O/c1-12(2)6-7-14-8-16-18(17(21)9-14)15(10-19-16)11-20(5)13(3)4/h6,8-10,13,19,21H,7,11H2,1-5H3
InChIKeyGCHWZVFBUCSSBH-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.22
Rot. Bonds5

About 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol

6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol (PubChem CID 164872790) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol.

Molecular Properties

Compound Name6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol
PubChem CID164872790
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol
SMILESCC(C)=CCc1cc(O)c2c(CN(C)C(C)C)c[nH]c2c1
InChIInChI=1S/C18H26N2O/c1-12(2)6-7-14-8-16-18(17(21)9-14)15(10-19-16)11-20(5)13(3)4/h6,8-10,13,19,21H,7,11H2,1-5H3
InChIKeyGCHWZVFBUCSSBH-UHFFFAOYSA-N
XLogP4.22
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine
CID 170014024
[3-[2-(dimethylamino)ethyl]-6-(3-methylbut-2-enyl)-1H-indol-4-yl] propanoate
CID 164872831
6-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014016
N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 168840392
3-methyl-1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butane-2,3-diol
CID 85086542
2-amino-3-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoic acid
CID 164588463
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
3-(3-methylbut-2-enyl)-4-nitro-1H-indole
CID 5324477
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
CID 166468740

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol?
The IUPAC name of 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol (CID 164872790) is 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol.
What is the SMILES notation for 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol?
The canonical SMILES for 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol is CC(C)=CCc1cc(O)c2c(CN(C)C(C)C)c[nH]c2c1.
What is the InChIKey of 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol?
The InChIKey is GCHWZVFBUCSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)6-7-14-8-16-18(17(21)9-14)15(10-19-16)11-20(5)13(3)4/h6,8-10,13,19,21H,7,11H2,1-5H3.
What are the key properties of 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol?
6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol has a molecular weight of 286.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol is sourced from PubChem (CID 164872790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).