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

C14H22N2O — CID 70591226

IUPAC3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCC1C=CC2=C(NCC2)C1C(=O)CCN(C)C
InChIInChI=1S/C14H22N2O/c1-10-4-5-11-6-8-15-14(11)13(10)12(17)7-9-16(2)3/h4-5,10,13,15H,6-9H2,1-3H3
InChIKeyNITXMSIIGVMOPW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.58
Rot. Bonds4

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

3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (PubChem CID 70591226) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
PubChem CID70591226
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCC1C=CC2=C(NCC2)C1C(=O)CCN(C)C
InChIInChI=1S/C14H22N2O/c1-10-4-5-11-6-8-15-14(11)13(10)12(17)7-9-16(2)3/h4-5,10,13,15H,6-9H2,1-3H3
InChIKeyNITXMSIIGVMOPW-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (CID 70591226) is 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is CC1C=CC2=C(NCC2)C1C(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The InChIKey is NITXMSIIGVMOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-11-6-8-15-14(11)13(10)12(17)7-9-16(2)3/h4-5,10,13,15H,6-9H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is sourced from PubChem (CID 70591226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).