2-(5-aminoindol-1-yl)-N,N-dimethylacetamide

C12H15N3O — CID 43165387

IUPAC2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(N)ccc21
InChIInChI=1S/C12H15N3O/c1-14(2)12(16)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-7H,8,13H2,1-2H3
InChIKeyDTDDBXVRHQWLJH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.31
Rot. Bonds2

About 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide

2-(5-aminoindol-1-yl)-N,N-dimethylacetamide (PubChem CID 43165387) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
PubChem CID43165387
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(N)ccc21
InChIInChI=1S/C12H15N3O/c1-14(2)12(16)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-7H,8,13H2,1-2H3
InChIKeyDTDDBXVRHQWLJH-UHFFFAOYSA-N
XLogP1.31
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43165357
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
2-(5-aminoindol-1-yl)ethanol
CID 43165354
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 107920508
3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide
CID 102915506
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide
CID 49370056

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide (CID 43165387) is 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc2cc(N)ccc21.
What is the InChIKey of 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide?
The InChIKey is DTDDBXVRHQWLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14(2)12(16)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-7H,8,13H2,1-2H3.
What are the key properties of 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide?
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 43165387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).