2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide

C16H23N3O — CID 102916443

IUPAC2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc2ccc(CN)cc21
InChIInChI=1S/C16H23N3O/c1-12(2)5-7-18-16(20)11-19-8-6-14-4-3-13(10-17)9-15(14)19/h3-4,6,8-9,12H,5,7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyFZODNKRSWUBTPA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.26
Rot. Bonds6

About 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide

2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 102916443) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID102916443
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc2ccc(CN)cc21
InChIInChI=1S/C16H23N3O/c1-12(2)5-7-18-16(20)11-19-8-6-14-4-3-13(10-17)9-15(14)19/h3-4,6,8-9,12H,5,7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyFZODNKRSWUBTPA-UHFFFAOYSA-N
XLogP2.26
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide 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

2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
CID 102915421
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
CID 61490204
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide (CID 102916443) is 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1ccc2ccc(CN)cc21.
What is the InChIKey of 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is FZODNKRSWUBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)5-7-18-16(20)11-19-8-6-14-4-3-13(10-17)9-15(14)19/h3-4,6,8-9,12H,5,7,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide?
2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 102916443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).