2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide

C15H19N3O — CID 102916232

IUPAC2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccc2cc(CNC3CC3)ccc21
InChIInChI=1S/C15H19N3O/c1-16-15(19)10-18-7-6-12-8-11(2-5-14(12)18)9-17-13-3-4-13/h2,5-8,13,17H,3-4,9-10H2,1H3,(H,16,19)
InChIKeyQTUZWGJLCNSGSY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.64
Rot. Bonds5

About 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide

2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide (PubChem CID 102916232) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
PubChem CID102916232
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccc2cc(CNC3CC3)ccc21
InChIInChI=1S/C15H19N3O/c1-16-15(19)10-18-7-6-12-8-11(2-5-14(12)18)9-17-13-3-4-13/h2,5-8,13,17H,3-4,9-10H2,1H3,(H,16,19)
InChIKeyQTUZWGJLCNSGSY-UHFFFAOYSA-N
XLogP1.64
TPSA46.06 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 102916244
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102916947
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
CID 175826876
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
CID 115979513
N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 47460620
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide (CID 102916232) is 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide is CNC(=O)Cn1ccc2cc(CNC3CC3)ccc21.
What is the InChIKey of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide?
The InChIKey is QTUZWGJLCNSGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-15(19)10-18-7-6-12-8-11(2-5-14(12)18)9-17-13-3-4-13/h2,5-8,13,17H,3-4,9-10H2,1H3,(H,16,19).
What are the key properties of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide?
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide has a molecular weight of 257.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide is sourced from PubChem (CID 102916232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).