3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile

C13H22N2O — CID 115248110

IUPAC3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1CCCCC1)CC1(C#N)COC1
InChIInChI=1S/C13H22N2O/c1-15(7-12-5-3-2-4-6-12)9-13(8-14)10-16-11-13/h12H,2-7,9-11H2,1H3
InChIKeyQUADUYWGGMGSKO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds4

About 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile

3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248110) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248110
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1CCCCC1)CC1(C#N)COC1
InChIInChI=1S/C13H22N2O/c1-15(7-12-5-3-2-4-6-12)9-13(8-14)10-16-11-13/h12H,2-7,9-11H2,1H3
InChIKeyQUADUYWGGMGSKO-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine
CID 163498148
N-(cyclohexylmethyl)-3-methoxy-N-methylpropan-1-amine
CID 167156469
3-[Cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile
CID 55220555
2-[3-Methoxypropyl(methyl)amino]cyclohexane-1-carbonitrile
CID 62985539
3-[[Cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247936
3-[(Cyclohexylmethylamino)methyl]oxetane-3-carbonitrile
CID 115248039
3-[[Cyclopentylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248109
3-[[Methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile
CID 115248115
3-[[Methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]oxetane-3-carbonitrile
CID 115248116
3-[[Methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile
CID 115248189
3-[[2-Cyclopentylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248225
3-[[2-Cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248226

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115248110) is 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CC1CCCCC1)CC1(C#N)COC1.
What is the InChIKey of 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is QUADUYWGGMGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(7-12-5-3-2-4-6-12)9-13(8-14)10-16-11-13/h12H,2-7,9-11H2,1H3.
What are the key properties of 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).