1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine

C19H27N3O — CID 131648468

IUPAC1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC2(CN(Cc3cccc4[nH]ccc34)C2)OC1
InChIInChI=1S/C19H27N3O/c1-21(2)10-15-6-8-19(23-12-15)13-22(14-19)11-16-4-3-5-18-17(16)7-9-20-18/h3-5,7,9,15,20H,6,8,10-14H2,1-2H3
InChIKeyWCKGTYZJNQEWQL-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine

1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine (PubChem CID 131648468) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
PubChem CID131648468
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC2(CN(Cc3cccc4[nH]ccc34)C2)OC1
InChIInChI=1S/C19H27N3O/c1-21(2)10-15-6-8-19(23-12-15)13-22(14-19)11-16-4-3-5-18-17(16)7-9-20-18/h3-5,7,9,15,20H,6,8,10-14H2,1-2H3
InChIKeyWCKGTYZJNQEWQL-UHFFFAOYSA-N
XLogP2.71
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131660879
9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 134804424
(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124812614
1-[7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-fluorophenyl)ethanone
CID 131648399
(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 124817158
1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
CID 124816450
1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 131695390
2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131641308
3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one
CID 154565979
N-[[7-(1H-indol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155832241
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine (CID 131648468) is 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine is CN(C)CC1CCC2(CN(Cc3cccc4[nH]ccc34)C2)OC1.
What is the InChIKey of 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine?
The InChIKey is WCKGTYZJNQEWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21(2)10-15-6-8-19(23-12-15)13-22(14-19)11-16-4-3-5-18-17(16)7-9-20-18/h3-5,7,9,15,20H,6,8,10-14H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine?
1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine has a molecular weight of 313.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 131648468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).