3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one

C16H26N2O — CID 70591594

IUPAC3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C16H26N2O/c1-4-18(5-2)11-9-14(19)15-12(3)6-7-13-8-10-17-16(13)15/h6-7,12,15,17H,4-5,8-11H2,1-3H3
InChIKeyTVPQLGMUFYNUAA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.36
Rot. Bonds6

About 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one

3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (PubChem CID 70591594) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
PubChem CID70591594
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C16H26N2O/c1-4-18(5-2)11-9-14(19)15-12(3)6-7-13-8-10-17-16(13)15/h6-7,12,15,17H,4-5,8-11H2,1-3H3
InChIKeyTVPQLGMUFYNUAA-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (CID 70591594) is 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is CCN(CC)CCC(=O)C1C2=C(C=CC1C)CCN2.
What is the InChIKey of 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The InChIKey is TVPQLGMUFYNUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(5-2)11-9-14(19)15-12(3)6-7-13-8-10-17-16(13)15/h6-7,12,15,17H,4-5,8-11H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one has a molecular weight of 262.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is sourced from PubChem (CID 70591594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).