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

C15H19N3O — CID 102916396

IUPAC2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCc1ccc2ccn(CC(=O)NCC3CC3)c2c1
InChIInChI=1S/C15H19N3O/c16-8-12-3-4-13-5-6-18(14(13)7-12)10-15(19)17-9-11-1-2-11/h3-7,11H,1-2,8-10,16H2,(H,17,19)
InChIKeyHSGPXIKRXHATMT-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.63
Rot. Bonds5

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

2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 102916396) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID102916396
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCc1ccc2ccn(CC(=O)NCC3CC3)c2c1
InChIInChI=1S/C15H19N3O/c16-8-12-3-4-13-5-6-18(14(13)7-12)10-15(19)17-9-11-1-2-11/h3-7,11H,1-2,8-10,16H2,(H,17,19)
InChIKeyHSGPXIKRXHATMT-UHFFFAOYSA-N
XLogP1.63
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
CID 102916443
2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107920232
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
CID 102915421
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82903265
2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
CID 102913062
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 42537037

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide (CID 102916396) is 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide is NCc1ccc2ccn(CC(=O)NCC3CC3)c2c1.
What is the InChIKey of 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is HSGPXIKRXHATMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-8-12-3-4-13-5-6-18(14(13)7-12)10-15(19)17-9-11-1-2-11/h3-7,11H,1-2,8-10,16H2,(H,17,19).
What are the key properties of 2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.63, 5 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 102916396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).