4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile

C26H28N2 — CID 10044556

IUPAC4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
SMILESCC(C)C1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C26H28N2/c1-19(2)26-4-3-14-28(26)15-13-20-5-10-25-17-24(12-11-23(25)16-20)22-8-6-21(18-27)7-9-22/h5-12,16-17,19,26H,3-4,13-15H2,1-2H3
InChIKeyJITCFZZJUPHBRG-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.04
Rot. Bonds5

About 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile

4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile (PubChem CID 10044556) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
PubChem CID10044556
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
SMILESCC(C)C1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C26H28N2/c1-19(2)26-4-3-14-28(26)15-13-20-5-10-25-17-24(12-11-23(25)16-20)22-8-6-21(18-27)7-9-22/h5-12,16-17,19,26H,3-4,13-15H2,1-2H3
InChIKeyJITCFZZJUPHBRG-UHFFFAOYSA-N
XLogP6.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile 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

(S)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 9997377
(R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10042900
(S)-4-(6-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10066872
4-(6-(2-(2-Methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10088634
(S)-4-(6-(2-(2-(fluoromethyl)pyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10247831
4-(6-(2-(Diethylamino)ethyl)naphthalen-2-yl)benzonitrile
CID 10359169
4-(6-(2-(Pyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10426540
4'-{3[(2R)-2-Methyl-pyrrolidin-1-yl]-cis-cyclobutyl}-biphenyl-4-carbonitrile
CID 11973711
3-(Naphth-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 18689926
n,n-Dimethyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 20111627
1-[2-(Naphthalen-2-yl)ethyl]pyrrolidine
CID 44455950
7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 10060986

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile (CID 10044556) is 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile is CC(C)C1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
The InChIKey is JITCFZZJUPHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-19(2)26-4-3-14-28(26)15-13-20-5-10-25-17-24(12-11-23(25)16-20)22-8-6-21(18-27)7-9-22/h5-12,16-17,19,26H,3-4,13-15H2,1-2H3.
What are the key properties of 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile has a molecular weight of 368.52 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 10044556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).