2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile

C16H21N3 — CID 115146441

IUPAC2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
SMILESCCCC(C)(C)CNc1[nH]c2ccccc2c1C#N
InChIInChI=1S/C16H21N3/c1-4-9-16(2,3)11-18-15-13(10-17)12-7-5-6-8-14(12)19-15/h5-8,18-19H,4,9,11H2,1-3H3
InChIKeyLWIFGTPTKIIGNZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.28
Rot. Bonds5

About 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile

2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile (PubChem CID 115146441) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
PubChem CID115146441
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
SMILESCCCC(C)(C)CNc1[nH]c2ccccc2c1C#N
InChIInChI=1S/C16H21N3/c1-4-9-16(2,3)11-18-15-13(10-17)12-7-5-6-8-14(12)19-15/h5-8,18-19H,4,9,11H2,1-3H3
InChIKeyLWIFGTPTKIIGNZ-UHFFFAOYSA-N
XLogP4.28
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
CID 115146404
2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
CID 115146393
2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
CID 115146398
2-propoxy-1H-indole-3-carbonitrile
CID 142777137
2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
CID 141210513
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-(5-bromo-2-methylanilino)-1H-indole-3-carbonitrile
CID 115146340
2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile
CID 115146330
N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide
CID 126833408
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
3-iodo-1H-indole-2-carbonitrile
CID 11043753

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile (CID 115146441) is 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile is CCCC(C)(C)CNc1[nH]c2ccccc2c1C#N.
What is the InChIKey of 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile?
The InChIKey is LWIFGTPTKIIGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-9-16(2,3)11-18-15-13(10-17)12-7-5-6-8-14(12)19-15/h5-8,18-19H,4,9,11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile?
2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).