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

C11H18N2O — CID 115247935

IUPAC3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C1CCCC1
InChIInChI=1S/C11H18N2O/c1-13(10-4-2-3-5-10)7-11(6-12)8-14-9-11/h10H,2-5,7-9H2,1H3
InChIKeyHNOYVWWFGXDAER-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.40
Rot. Bonds3

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

3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247935) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247935
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C1CCCC1
InChIInChI=1S/C11H18N2O/c1-13(10-4-2-3-5-10)7-11(6-12)8-14-9-11/h10H,2-5,7-9H2,1H3
InChIKeyHNOYVWWFGXDAER-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115247935) is 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CC1(C#N)COC1)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is HNOYVWWFGXDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(10-4-2-3-5-10)7-11(6-12)8-14-9-11/h10H,2-5,7-9H2,1H3.
What are the key properties of 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).