3-[2-cyclobutylethyl(methyl)amino]propanenitrile

C10H18N2 — CID 115231300

IUPAC3-[2-cyclobutylethyl(methyl)amino]propanenitrile
SMILESCN(CCC#N)CCC1CCC1
InChIInChI=1S/C10H18N2/c1-12(8-3-7-11)9-6-10-4-2-5-10/h10H,2-6,8-9H2,1H3
InChIKeyQYNPHEDMEFSTNC-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds5

About 3-[2-cyclobutylethyl(methyl)amino]propanenitrile

3-[2-cyclobutylethyl(methyl)amino]propanenitrile (PubChem CID 115231300) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-[2-cyclobutylethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyclobutylethyl(methyl)amino]propanenitrile
PubChem CID115231300
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-[2-cyclobutylethyl(methyl)amino]propanenitrile
SMILESCN(CCC#N)CCC1CCC1
InChIInChI=1S/C10H18N2/c1-12(8-3-7-11)9-6-10-4-2-5-10/h10H,2-6,8-9H2,1H3
InChIKeyQYNPHEDMEFSTNC-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(chloromethyl)-2-cyclobutyl-N-methylethanamine
CID 115263599
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
3-[4-[2-cyanoethyl(methyl)amino]butyl-methylamino]propanenitrile
CID 71396739
1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200914
3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248232
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
3-cycloheptylpropanenitrile
CID 13164045
2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254710
3-[3,3-dimethylbutyl(methyl)amino]propanenitrile
CID 60684407
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclobutylethyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[2-cyclobutylethyl(methyl)amino]propanenitrile (CID 115231300) is 3-[2-cyclobutylethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-cyclobutylethyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[2-cyclobutylethyl(methyl)amino]propanenitrile is CN(CCC#N)CCC1CCC1.
What is the InChIKey of 3-[2-cyclobutylethyl(methyl)amino]propanenitrile?
The InChIKey is QYNPHEDMEFSTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12(8-3-7-11)9-6-10-4-2-5-10/h10H,2-6,8-9H2,1H3.
What are the key properties of 3-[2-cyclobutylethyl(methyl)amino]propanenitrile?
3-[2-cyclobutylethyl(methyl)amino]propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclobutylethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 115231300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).