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

C15H26N2O — CID 115248259

IUPAC3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-14(2,13-6-4-3-5-7-13)9-17-10-15(8-16)11-18-12-15/h13,17H,3-7,9-12H2,1-2H3
InChIKeyMHHBWBCGMOWTDB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.72
Rot. Bonds5

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

3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248259) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248259
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-14(2,13-6-4-3-5-7-13)9-17-10-15(8-16)11-18-12-15/h13,17H,3-7,9-12H2,1-2H3
InChIKeyMHHBWBCGMOWTDB-UHFFFAOYSA-N
XLogP2.72
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile (CID 115248259) is 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile is CC(C)(CNCC1(C#N)COC1)C1CCCCC1.
What is the InChIKey of 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is MHHBWBCGMOWTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2,13-6-4-3-5-7-13)9-17-10-15(8-16)11-18-12-15/h13,17H,3-7,9-12H2,1-2H3.
What are the key properties of 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).