4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile

C15H20N2 — CID 81417529

IUPAC4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile
SMILESCCC1(C)C(NC)CC1c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2/c1-4-15(2)13(9-14(15)17-3)12-7-5-11(10-16)6-8-12/h5-8,13-14,17H,4,9H2,1-3H3
InChIKeyDJYCECSINHMKDH-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.05
Rot. Bonds3

About 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile

4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile (PubChem CID 81417529) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile.

Molecular Properties

Compound Name4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile
PubChem CID81417529
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile
SMILESCCC1(C)C(NC)CC1c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2/c1-4-15(2)13(9-14(15)17-3)12-7-5-11(10-16)6-8-12/h5-8,13-14,17H,4,9H2,1-3H3
InChIKeyDJYCECSINHMKDH-UHFFFAOYSA-N
XLogP3.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethyl-3-hydroxy-2-methylcyclobutyl)benzonitrile
CID 81416676
3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81416793
3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 104654211
4-[4,4-dimethyl-3-(methylamino)piperidin-1-yl]benzonitrile
CID 117025382
4-(2-ethyl-3-hydroxycyclobutyl)benzonitrile
CID 81414990
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219
4-(5-methyl-5-propyl-1,3-dioxan-2-yl)benzonitrile
CID 18611717
4-(5-ethyl-5-methyl-1,4-oxazepan-2-yl)benzonitrile
CID 114154375
4-(5-butyl-5-methyl-1,3-dioxan-2-yl)benzonitrile
CID 18611713
azane;benzene-1,4-dicarbonitrile
CID 174336566
2-ethyl-2-methyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 81416095
4-(5-ethyl-5-hydroxy-4-oxooxolan-2-yl)benzonitrile
CID 122226014

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile?
The IUPAC name of 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile (CID 81417529) is 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile.
What is the SMILES notation for 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile?
The canonical SMILES for 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile is CCC1(C)C(NC)CC1c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile?
The InChIKey is DJYCECSINHMKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-15(2)13(9-14(15)17-3)12-7-5-11(10-16)6-8-12/h5-8,13-14,17H,4,9H2,1-3H3.
What are the key properties of 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile?
4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile is sourced from PubChem (CID 81417529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).