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

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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).