2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile

C18H24N2O — CID 83165281

IUPAC2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile
SMILESCC(C)Oc1cccc2c1ccn2CCCC(C)(C)C#N
InChIInChI=1S/C18H24N2O/c1-14(2)21-17-8-5-7-16-15(17)9-12-20(16)11-6-10-18(3,4)13-19/h5,7-9,12,14H,6,10-11H2,1-4H3
InChIKeyUFTJINGUTHDRGS-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.76
Rot. Bonds6

About 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile

2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile (PubChem CID 83165281) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile
PubChem CID83165281
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile
SMILESCC(C)Oc1cccc2c1ccn2CCCC(C)(C)C#N
InChIInChI=1S/C18H24N2O/c1-14(2)21-17-8-5-7-16-15(17)9-12-20(16)11-6-10-18(3,4)13-19/h5,7-9,12,14H,6,10-11H2,1-4H3
InChIKeyUFTJINGUTHDRGS-UHFFFAOYSA-N
XLogP4.76
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
5-[2-(hydroxymethyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66397395
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
CID 83163450
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile (CID 83165281) is 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile is CC(C)Oc1cccc2c1ccn2CCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile?
The InChIKey is UFTJINGUTHDRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)21-17-8-5-7-16-15(17)9-12-20(16)11-6-10-18(3,4)13-19/h5,7-9,12,14H,6,10-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile?
2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile has a molecular weight of 284.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile is sourced from PubChem (CID 83165281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).