3-[3-(methylaminomethyl)indol-1-yl]propanamide

C13H17N3O — CID 66407765

IUPAC3-[3-(methylaminomethyl)indol-1-yl]propanamide
SMILESCNCc1cn(CCC(N)=O)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-15-8-10-9-16(7-6-13(14)17)12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3,(H2,14,17)
InChIKeyAMTKYUOHYFSRNK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.24
Rot. Bonds5

About 3-[3-(methylaminomethyl)indol-1-yl]propanamide

3-[3-(methylaminomethyl)indol-1-yl]propanamide (PubChem CID 66407765) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-(methylaminomethyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(methylaminomethyl)indol-1-yl]propanamide
PubChem CID66407765
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[3-(methylaminomethyl)indol-1-yl]propanamide
SMILESCNCc1cn(CCC(N)=O)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-15-8-10-9-16(7-6-13(14)17)12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3,(H2,14,17)
InChIKeyAMTKYUOHYFSRNK-UHFFFAOYSA-N
XLogP1.24
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
CID 66408219
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide
CID 46999116
3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide
CID 46989963

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylaminomethyl)indol-1-yl]propanamide?
The IUPAC name of 3-[3-(methylaminomethyl)indol-1-yl]propanamide (CID 66407765) is 3-[3-(methylaminomethyl)indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-(methylaminomethyl)indol-1-yl]propanamide?
The canonical SMILES for 3-[3-(methylaminomethyl)indol-1-yl]propanamide is CNCc1cn(CCC(N)=O)c2ccccc12.
What is the InChIKey of 3-[3-(methylaminomethyl)indol-1-yl]propanamide?
The InChIKey is AMTKYUOHYFSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15-8-10-9-16(7-6-13(14)17)12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3,(H2,14,17).
What are the key properties of 3-[3-(methylaminomethyl)indol-1-yl]propanamide?
3-[3-(methylaminomethyl)indol-1-yl]propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylaminomethyl)indol-1-yl]propanamide is sourced from PubChem (CID 66407765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).