2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile

C15H19N3 — CID 116955721

IUPAC2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile
SMILESCNC(c1cn(C)c2ccccc12)C(C)(C)C#N
InChIInChI=1S/C15H19N3/c1-15(2,10-16)14(17-3)12-9-18(4)13-8-6-5-7-11(12)13/h5-9,14,17H,1-4H3
InChIKeyZJOWJJVDRJWHDX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.99
Rot. Bonds3

About 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile

2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile (PubChem CID 116955721) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile
PubChem CID116955721
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile
SMILESCNC(c1cn(C)c2ccccc12)C(C)(C)C#N
InChIInChI=1S/C15H19N3/c1-15(2,10-16)14(17-3)12-9-18(4)13-8-6-5-7-11(12)13/h5-9,14,17H,1-4H3
InChIKeyZJOWJJVDRJWHDX-UHFFFAOYSA-N
XLogP2.99
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
CID 116908531
1-methyl-3-propan-2-ylindole
CID 10942942
1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
CID 116859440
4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 1254421
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide
CID 155889188
methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
CID 116955537
N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine
CID 116830387
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
CID 116955783
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
CID 116840601
3-(1-bromoethyl)-1-methylindole
CID 174852068

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile?
The IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile (CID 116955721) is 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile is CNC(c1cn(C)c2ccccc12)C(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile?
The InChIKey is ZJOWJJVDRJWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,10-16)14(17-3)12-9-18(4)13-8-6-5-7-11(12)13/h5-9,14,17H,1-4H3.
What are the key properties of 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile?
2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile has a molecular weight of 241.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile is sourced from PubChem (CID 116955721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).