2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile

C15H21N3 — CID 105417896

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
SMILESCN(CC1(N(C)C)CCC1)c1ccccc1C#N
InChIInChI=1S/C15H21N3/c1-17(2)15(9-6-10-15)12-18(3)14-8-5-4-7-13(14)11-16/h4-5,7-8H,6,9-10,12H2,1-3H3
InChIKeyPIGKKHBNLVWPPL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.48
Rot. Bonds4

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile (PubChem CID 105417896) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
PubChem CID105417896
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
SMILESCN(CC1(N(C)C)CCC1)c1ccccc1C#N
InChIInChI=1S/C15H21N3/c1-17(2)15(9-6-10-15)12-18(3)14-8-5-4-7-13(14)11-16/h4-5,7-8H,6,9-10,12H2,1-3H3
InChIKeyPIGKKHBNLVWPPL-UHFFFAOYSA-N
XLogP2.48
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596
2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105414204
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415190
2-(1-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415288
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 105415203
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-nitroaniline
CID 105419880
2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105416055
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]benzonitrile
CID 116521819
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456
2-[2-cyclohexylethyl(methyl)amino]benzonitrile
CID 114191196
2-[9-bromononyl(methyl)amino]benzonitrile
CID 105343840

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile (CID 105417896) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile is CN(CC1(N(C)C)CCC1)c1ccccc1C#N.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
The InChIKey is PIGKKHBNLVWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17(2)15(9-6-10-15)12-18(3)14-8-5-4-7-13(14)11-16/h4-5,7-8H,6,9-10,12H2,1-3H3.
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile is sourced from PubChem (CID 105417896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).