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

C12H20N2O — CID 115247936

IUPAC3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-14(11-5-3-2-4-6-11)8-12(7-13)9-15-10-12/h11H,2-6,8-10H2,1H3
InChIKeyYCHWAQPGYIEVRV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.79
Rot. Bonds3

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

3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247936) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247936
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-14(11-5-3-2-4-6-11)8-12(7-13)9-15-10-12/h11H,2-6,8-10H2,1H3
InChIKeyYCHWAQPGYIEVRV-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242179
3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248232
N-[(1-fluorocyclopropyl)methyl]-N-methylcyclopentanamine
CID 130693587
methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
CID 115248651
1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245215
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentane-1-carbonitrile
CID 82120574
3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247864
3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247892
3-[(4-ethylsulfanyl-N-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247904
3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248197
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115247936) is 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CC1(C#N)COC1)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is YCHWAQPGYIEVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(11-5-3-2-4-6-11)8-12(7-13)9-15-10-12/h11H,2-6,8-10H2,1H3.
What are the key properties of 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).