3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile

C14H24N2O — CID 115248226

IUPAC3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CCC1CCCCC1)CC1(C#N)COC1
InChIInChI=1S/C14H24N2O/c1-16(10-14(9-15)11-17-12-14)8-7-13-5-3-2-4-6-13/h13H,2-8,10-12H2,1H3
InChIKeyBJCOVUDHRSITSZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds5

About 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile

3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248226) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248226
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CCC1CCCCC1)CC1(C#N)COC1
InChIInChI=1S/C14H24N2O/c1-16(10-14(9-15)11-17-12-14)8-7-13-5-3-2-4-6-13/h13H,2-8,10-12H2,1H3
InChIKeyBJCOVUDHRSITSZ-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[Cyclopentylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248109
3-[[Cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248110
3-[[Methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile
CID 115248115
3-[(2-Cyclohexylethylamino)methyl]oxetane-3-carbonitrile
CID 115248178
3-[[Methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile
CID 115248189
3-[[2-Cyclopentylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248225
3-[[Methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile
CID 115248229
3-[[Methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methyl]oxetane-3-carbonitrile
CID 115248230
3-[[2-Cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248232
3-[[(2-Cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248259
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclohexyl-N-methylethanamine
CID 115249634
3-[(4-Methylpiperidin-1-yl)methyl]oxetane-3-carbonitrile
CID 117572388

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115248226) is 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CCC1CCCCC1)CC1(C#N)COC1.
What is the InChIKey of 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is BJCOVUDHRSITSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-16(10-14(9-15)11-17-12-14)8-7-13-5-3-2-4-6-13/h13H,2-8,10-12H2,1H3.
What are the key properties of 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).