4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide

C15H22N4O — CID 166081815

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cn(C)c2cccc(N)c12
InChIInChI=1S/C15H22N4O/c1-17(2)8-9-18(3)15(20)11-10-19(4)13-7-5-6-12(16)14(11)13/h5-7,10H,8-9,16H2,1-4H3
InChIKeyLZMBIIVXWJYPAB-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.39
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide

4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide (PubChem CID 166081815) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide
PubChem CID166081815
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cn(C)c2cccc(N)c12
InChIInChI=1S/C15H22N4O/c1-17(2)8-9-18(3)15(20)11-10-19(4)13-7-5-6-12(16)14(11)13/h5-7,10H,8-9,16H2,1-4H3
InChIKeyLZMBIIVXWJYPAB-UHFFFAOYSA-N
XLogP1.39
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide (CID 166081815) is 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide is CN(C)CCN(C)C(=O)c1cn(C)c2cccc(N)c12.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide?
The InChIKey is LZMBIIVXWJYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17(2)8-9-18(3)15(20)11-10-19(4)13-7-5-6-12(16)14(11)13/h5-7,10H,8-9,16H2,1-4H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide?
4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide is sourced from PubChem (CID 166081815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).