3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile

C14H18N2 — CID 80521385

IUPAC3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile
SMILESCCC1(CC)CC(C#N)(c2ccccn2)C1
InChIInChI=1S/C14H18N2/c1-3-13(4-2)9-14(10-13,11-15)12-7-5-6-8-16-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyWAOQFTHMUDKOOM-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.44
Rot. Bonds3

About 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile

3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile (PubChem CID 80521385) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile
PubChem CID80521385
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile
SMILESCCC1(CC)CC(C#N)(c2ccccn2)C1
InChIInChI=1S/C14H18N2/c1-3-13(4-2)9-14(10-13,11-15)12-7-5-6-8-16-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyWAOQFTHMUDKOOM-UHFFFAOYSA-N
XLogP3.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-diethyl-1-pyridin-2-ylcyclobutane-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

3,3-diethyl-1-phenylcyclobutane-1-carbonitrile
CID 23294999
3,3-diethyl-1-(2-methoxyphenyl)cyclobutane-1-carbonitrile
CID 65003706
2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile
CID 158344901
butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 23194322
1-(3,5-difluorophenyl)-3,3-diethylcyclobutane-1-carbonitrile
CID 65004007
1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile
CID 167219039
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine
CID 175315625
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
ethyl 4-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]quinoline-2-carboxylate
CID 71014156
1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile
CID 116855148

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile?
The IUPAC name of 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile (CID 80521385) is 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile is CCC1(CC)CC(C#N)(c2ccccn2)C1.
What is the InChIKey of 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile?
The InChIKey is WAOQFTHMUDKOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-13(4-2)9-14(10-13,11-15)12-7-5-6-8-16-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile?
3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 80521385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).