N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C17H23N3 — CID 61231228

IUPACN-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1c[nH]c2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C17H23N3/c1-20(15-8-13-6-7-14(9-15)19-13)11-12-10-18-17-5-3-2-4-16(12)17/h2-5,10,13-15,18-19H,6-9,11H2,1H3
InChIKeyPLYABIKLOAKNLA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.88
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231228) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231228
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1c[nH]c2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C17H23N3/c1-20(15-8-13-6-7-14(9-15)19-13)11-12-10-18-17-5-3-2-4-16(12)17/h2-5,10,13-15,18-19H,6-9,11H2,1H3
InChIKeyPLYABIKLOAKNLA-UHFFFAOYSA-N
XLogP2.88
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1H-indol-3-ylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042973
4-N-(1H-indol-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123075
N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
CID 66852692
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
methyl 2-[1H-indol-3-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142476
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
N'-(1H-indol-3-ylmethyl)-N'-methyloxamide
CID 115191974
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231228) is N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(Cc1c[nH]c2ccccc12)C1CC2CCC(C1)N2.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PLYABIKLOAKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20(15-8-13-6-7-14(9-15)19-13)11-12-10-18-17-5-3-2-4-16(12)17/h2-5,10,13-15,18-19H,6-9,11H2,1H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 269.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).