3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile

C14H18N2 — CID 155748037

IUPAC3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile
SMILESCC(C)c1ccc(NC2CC(C#N)C2)cc1
InChIInChI=1S/C14H18N2/c1-10(2)12-3-5-13(6-4-12)16-14-7-11(8-14)9-15/h3-6,10-11,14,16H,7-8H2,1-2H3
InChIKeyXYBQALHWLADIAJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.52
Rot. Bonds3

About 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile

3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile (PubChem CID 155748037) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile
PubChem CID155748037
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile
SMILESCC(C)c1ccc(NC2CC(C#N)C2)cc1
InChIInChI=1S/C14H18N2/c1-10(2)12-3-5-13(6-4-12)16-14-7-11(8-14)9-15/h3-6,10-11,14,16H,7-8H2,1-2H3
InChIKeyXYBQALHWLADIAJ-UHFFFAOYSA-N
XLogP3.52
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile (CID 155748037) is 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile is CC(C)c1ccc(NC2CC(C#N)C2)cc1.
What is the InChIKey of 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile?
The InChIKey is XYBQALHWLADIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)12-3-5-13(6-4-12)16-14-7-11(8-14)9-15/h3-6,10-11,14,16H,7-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile?
3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 155748037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).