3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol

C19H24N2O — CID 166593938

IUPAC3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol
SMILESCN(CCC1C=CCCC=C1)Cc1c[nH]c2c(O)cccc12
InChIInChI=1S/C19H24N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h4-10,13,15,20,22H,2-3,11-12,14H2,1H3
InChIKeyGHHHQHGULIPQMO-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.22
Rot. Bonds5

About 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol

3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol (PubChem CID 166593938) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol
PubChem CID166593938
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol
SMILESCN(CCC1C=CCCC=C1)Cc1c[nH]c2c(O)cccc12
InChIInChI=1S/C19H24N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h4-10,13,15,20,22H,2-3,11-12,14H2,1H3
InChIKeyGHHHQHGULIPQMO-UHFFFAOYSA-N
XLogP4.22
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol with MolForge

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Related Compounds

3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid
CID 593496
2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
CID 65056186
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
CID 115219091
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
CID 22014780
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
(E)-4-[1H-indol-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237209
1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115189880
3-[1H-indol-3-ylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042973

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol?
The IUPAC name of 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol (CID 166593938) is 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol.
What is the SMILES notation for 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol?
The canonical SMILES for 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol is CN(CCC1C=CCCC=C1)Cc1c[nH]c2c(O)cccc12.
What is the InChIKey of 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol?
The InChIKey is GHHHQHGULIPQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h4-10,13,15,20,22H,2-3,11-12,14H2,1H3.
What are the key properties of 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol?
3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol has a molecular weight of 296.41 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 3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol is sourced from PubChem (CID 166593938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).