2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile

C16H22N2 — CID 65257939

IUPAC2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
SMILESCC1Cc2ccccc2N1CCCC(C)(C)C#N
InChIInChI=1S/C16H22N2/c1-13-11-14-7-4-5-8-15(14)18(13)10-6-9-16(2,3)12-17/h4-5,7-8,13H,6,9-11H2,1-3H3
InChIKeyBHKJWGNYIVLPIJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.77
Rot. Bonds4

About 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile

2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile (PubChem CID 65257939) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
PubChem CID65257939
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
SMILESCC1Cc2ccccc2N1CCCC(C)(C)C#N
InChIInChI=1S/C16H22N2/c1-13-11-14-7-4-5-8-15(14)18(13)10-6-9-16(2,3)12-17/h4-5,7-8,13H,6,9-11H2,1-3H3
InChIKeyBHKJWGNYIVLPIJ-UHFFFAOYSA-N
XLogP3.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
CID 65257292
2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802759
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802760
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
4-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2,2-dimethylbutanenitrile
CID 75393968
N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 94824067
2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 63465804
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile (CID 65257939) is 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile is CC1Cc2ccccc2N1CCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile?
The InChIKey is BHKJWGNYIVLPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-11-14-7-4-5-8-15(14)18(13)10-6-9-16(2,3)12-17/h4-5,7-8,13H,6,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile?
2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile has a molecular weight of 242.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile is sourced from PubChem (CID 65257939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).