methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate

C16H22N2O2 — CID 83948562

IUPACmethyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCCN)c2cc(C)cc(C)c21
InChIInChI=1S/C16H22N2O2/c1-11-7-12(2)16-14(8-11)13(5-4-6-17)9-18(16)10-15(19)20-3/h7-9H,4-6,10,17H2,1-3H3
InChIKeyCQJGPHIGUQFCLT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate

methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate (PubChem CID 83948562) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
PubChem CID83948562
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namemethyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCCN)c2cc(C)cc(C)c21
InChIInChI=1S/C16H22N2O2/c1-11-7-12(2)16-14(8-11)13(5-4-6-17)9-18(16)10-15(19)20-3/h7-9H,4-6,10,17H2,1-3H3
InChIKeyCQJGPHIGUQFCLT-UHFFFAOYSA-N
XLogP2.32
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate 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

methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate
CID 83948310
methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
CID 66487519
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989
3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948572
1-(2-aminoethyl)-3-(3-aminopropyl)-5-methylindole-7-carboxylic acid
CID 83946116
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
3-(3-aminopropyl)-1-(2-hydroxyethyl)-5-methylindole-7-carboxylic acid
CID 83946040
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
CID 83949055
methyl 2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetate
CID 83946726
2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
CID 66487510
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate (CID 83948562) is methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate is COC(=O)Cn1cc(CCCN)c2cc(C)cc(C)c21.
What is the InChIKey of methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate?
The InChIKey is CQJGPHIGUQFCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-7-12(2)16-14(8-11)13(5-4-6-17)9-18(16)10-15(19)20-3/h7-9H,4-6,10,17H2,1-3H3.
What are the key properties of methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate?
methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate has a molecular weight of 274.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate is sourced from PubChem (CID 83948562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).