3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile

C14H24N2O — CID 115248258

IUPAC3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)C1CCCC1
InChIInChI=1S/C14H24N2O/c1-13(2,12-5-3-4-6-12)8-16-9-14(7-15)10-17-11-14/h12,16H,3-6,8-11H2,1-2H3
InChIKeyVPGBRYHUKALIEK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.33
Rot. Bonds5

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

3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248258) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248258
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)C1CCCC1
InChIInChI=1S/C14H24N2O/c1-13(2,12-5-3-4-6-12)8-16-9-14(7-15)10-17-11-14/h12,16H,3-6,8-11H2,1-2H3
InChIKeyVPGBRYHUKALIEK-UHFFFAOYSA-N
XLogP2.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242683
1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242689
3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide
CID 115184886
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile
CID 115248242
3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248256
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
CID 115244471
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
3-[[2-(2,5-dimethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248127
3-[[2-(2,4,6-trimethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248145

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile (CID 115248258) is 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile is CC(C)(CNCC1(C#N)COC1)C1CCCC1.
What is the InChIKey of 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is VPGBRYHUKALIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,12-5-3-4-6-12)8-16-9-14(7-15)10-17-11-14/h12,16H,3-6,8-11H2,1-2H3.
What are the key properties of 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).