4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile

C17H18N2 — CID 23079916

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile
SMILESCC1(C)CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C17H18N2/c1-17(2)10-5-11-19(17)16-9-8-13(12-18)14-6-3-4-7-15(14)16/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyJFOQAQUJROWDKY-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.09
Rot. Bonds1

About 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile

4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile (PubChem CID 23079916) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile
PubChem CID23079916
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile
SMILESCC1(C)CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C17H18N2/c1-17(2)10-5-11-19(17)16-9-8-13(12-18)14-6-3-4-7-15(14)16/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyJFOQAQUJROWDKY-UHFFFAOYSA-N
XLogP4.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile 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

Fddnp F-18
CID 449685
2-(1-(6-((2-Fluoroethyl)(methyl)Amino)-2-naphthyl)ethylidene)malononitrile
CID 24858429
4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68707555
4-[(2S)-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68707868
4-[(2S,3R)-3-hydroxy-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68709882
4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68710983
(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile
CID 68713946
N,N-Diethyl-alpha-naphthylamine
CID 66547
[2-Methyl-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
CID 963286
4,5-Bis(dimethylamino)naphthalene-1-carbonitrile
CID 2327119
2-(1-[6-(Dimethylamino)-2-naphthyl]ethylidene)malononitrile
CID 9903341
4-[(2S,3S)-3-(2-hydroxypropan-2-yl)-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 9904204

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile (CID 23079916) is 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile is CC1(C)CCCN1c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile?
The InChIKey is JFOQAQUJROWDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-17(2)10-5-11-19(17)16-9-8-13(12-18)14-6-3-4-7-15(14)16/h3-4,6-9H,5,10-11H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile?
4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile has a molecular weight of 250.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 23079916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).