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

C11H20N2O — CID 115248188

IUPAC3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile
SMILESCCCCCN(C)CC1(C#N)COC1
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-13(2)8-11(7-12)9-14-10-11/h3-6,8-10H2,1-2H3
InChIKeyUTTYQQNRQXAVDW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds6

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

3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248188) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248188
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile
SMILESCCCCCN(C)CC1(C#N)COC1
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-13(2)8-11(7-12)9-14-10-11/h3-6,8-10H2,1-2H3
InChIKeyUTTYQQNRQXAVDW-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl-3-(methoxymethyl)azetidine-3-carbonitrile
CID 132040769
5-[3-Methoxypropyl(methyl)amino]pentanenitrile
CID 62866015
5-[3-Methoxypropyl(methyl)amino]-2,2-dimethylpentanenitrile
CID 65257474
3-[[Ethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247836
3-[[Methyl(propyl)amino]methyl]oxetane-3-carbonitrile
CID 115247837
3-[[Methyl(2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115247838
3-[[Tert-butyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247839
3-[[Methyl(propan-2-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247840
3-[[Cyclopentyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247935
3-[[Cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247936
3-[[Methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247942
3-[[Cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247945

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile (CID 115248188) is 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile is CCCCCN(C)CC1(C#N)COC1.
What is the InChIKey of 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is UTTYQQNRQXAVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-5-6-13(2)8-11(7-12)9-14-10-11/h3-6,8-10H2,1-2H3.
What are the key properties of 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile?
3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pentyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).