2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C16H25N3O — CID 3229651

IUPAC2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNCCCN(C)C
InChIInChI=1S/C16H25N3O/c1-13-11-14-7-4-5-8-15(14)19(13)16(20)12-17-9-6-10-18(2)3/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyCNJSCQHPARLYQJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.51
Rot. Bonds6

About 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3229651) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3229651
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNCCCN(C)C
InChIInChI=1S/C16H25N3O/c1-13-11-14-7-4-5-8-15(14)19(13)16(20)12-17-9-6-10-18(2)3/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyCNJSCQHPARLYQJ-UHFFFAOYSA-N
XLogP1.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 3229651) is 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CNCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is CNJSCQHPARLYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-11-14-7-4-5-8-15(14)19(13)16(20)12-17-9-6-10-18(2)3/h4-5,7-8,13,17H,6,9-12H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3229651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).