1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine

C17H29N3 — CID 102661638

IUPAC1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
SMILESCCN(CC)CCN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C17H29N3/c1-5-19(6-2)11-12-20-10-9-16-13-15(14(3)18-4)7-8-17(16)20/h7-8,13-14,18H,5-6,9-12H2,1-4H3
InChIKeySBSSGMLBHRMNFD-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.67
Rot. Bonds7

About 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine

1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine (PubChem CID 102661638) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
PubChem CID102661638
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
SMILESCCN(CC)CCN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C17H29N3/c1-5-19(6-2)11-12-20-10-9-16-13-15(14(3)18-4)7-8-17(16)20/h7-8,13-14,18H,5-6,9-12H2,1-4H3
InChIKeySBSSGMLBHRMNFD-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

Dicarbine
CID 65684
Indoline
CID 10328
2-Methylindoline
CID 23305
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
1-(2-Ethylphenyl)piperazine
CID 2736460
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydro-1H-indole
CID 13869744
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Indolin-6-ylamine hydrochloride
CID 34184
Stobadine
CID 108089

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine (CID 102661638) is 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine is CCN(CC)CCN1CCc2cc(C(C)NC)ccc21.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine?
The InChIKey is SBSSGMLBHRMNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-19(6-2)11-12-20-10-9-16-13-15(14(3)18-4)7-8-17(16)20/h7-8,13-14,18H,5-6,9-12H2,1-4H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine?
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine is sourced from PubChem (CID 102661638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).