3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile

C10H18N2O — CID 115247839

IUPAC3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-9(2,3)12(4)6-10(5-11)7-13-8-10/h6-8H2,1-4H3
InChIKeyJVXZYDYCFUUDPD-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds2

About 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile

3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247839) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247839
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-9(2,3)12(4)6-10(5-11)7-13-8-10/h6-8H2,1-4H3
InChIKeyJVXZYDYCFUUDPD-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115247839) is 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CC1(C#N)COC1)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is JVXZYDYCFUUDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2,3)12(4)6-10(5-11)7-13-8-10/h6-8H2,1-4H3.
What are the key properties of 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).