3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile

C19H23N3S — CID 137452048

IUPAC3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile
SMILESCNCCC(c1cccs1)N1CC(C)(C)c2c(C#N)cccc21
InChIInChI=1S/C19H23N3S/c1-19(2)13-22(16-7-4-6-14(12-20)18(16)19)15(9-10-21-3)17-8-5-11-23-17/h4-8,11,15,21H,9-10,13H2,1-3H3
InChIKeyQFLFKALQNHMLBX-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.07
Rot. Bonds5

About 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile

3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile (PubChem CID 137452048) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile
PubChem CID137452048
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile
SMILESCNCCC(c1cccs1)N1CC(C)(C)c2c(C#N)cccc21
InChIInChI=1S/C19H23N3S/c1-19(2)13-22(16-7-4-6-14(12-20)18(16)19)15(9-10-21-3)17-8-5-11-23-17/h4-8,11,15,21H,9-10,13H2,1-3H3
InChIKeyQFLFKALQNHMLBX-UHFFFAOYSA-N
XLogP4.07
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(5-methoxy-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 137443102
3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 137442779
(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine
CID 137443095
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 137443164
(3S)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 166640378
3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile
CID 95166417
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 137442813
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile?
The IUPAC name of 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile (CID 137452048) is 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile?
The canonical SMILES for 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile is CNCCC(c1cccs1)N1CC(C)(C)c2c(C#N)cccc21.
What is the InChIKey of 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile?
The InChIKey is QFLFKALQNHMLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-19(2)13-22(16-7-4-6-14(12-20)18(16)19)15(9-10-21-3)17-8-5-11-23-17/h4-8,11,15,21H,9-10,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile?
3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile has a molecular weight of 325.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile is sourced from PubChem (CID 137452048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).