2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile

C17H23N3 — CID 115129802

IUPAC2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(C)(C)C#N
InChIInChI=1S/C17H23N3/c1-12-15(13-8-6-7-9-14(13)20-12)16(2,3)11-19-17(4,5)10-18/h6-9,19-20H,11H2,1-5H3
InChIKeyGRHLUZISTKVENJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile

2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile (PubChem CID 115129802) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
PubChem CID115129802
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(C)(C)C#N
InChIInChI=1S/C17H23N3/c1-12-15(13-8-6-7-9-14(13)20-12)16(2,3)11-19-17(4,5)10-18/h6-9,19-20H,11H2,1-5H3
InChIKeyGRHLUZISTKVENJ-UHFFFAOYSA-N
XLogP3.65
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 116840602
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
CID 113085726
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085673
5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide
CID 113085743
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085675
2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
CID 115129151
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile?
The IUPAC name of 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile (CID 115129802) is 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile is Cc1[nH]c2ccccc2c1C(C)(C)CNC(C)(C)C#N.
What is the InChIKey of 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile?
The InChIKey is GRHLUZISTKVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-15(13-8-6-7-9-14(13)20-12)16(2,3)11-19-17(4,5)10-18/h6-9,19-20H,11H2,1-5H3.
What are the key properties of 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile?
2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile has a molecular weight of 269.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile is sourced from PubChem (CID 115129802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).