5-[methoxy(methyl)amino]pentanenitrile

C7H14N2O — CID 118335786

IUPAC5-[methoxy(methyl)amino]pentanenitrile
SMILESCON(C)CCCCC#N
InChIInChI=1S/C7H14N2O/c1-9(10-2)7-5-3-4-6-8/h3-5,7H2,1-2H3
InChIKeyBARXSXKQUWRZPP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.17
Rot. Bonds5

About 5-[methoxy(methyl)amino]pentanenitrile

5-[methoxy(methyl)amino]pentanenitrile (PubChem CID 118335786) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-[methoxy(methyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[methoxy(methyl)amino]pentanenitrile
PubChem CID118335786
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-[methoxy(methyl)amino]pentanenitrile
SMILESCON(C)CCCCC#N
InChIInChI=1S/C7H14N2O/c1-9(10-2)7-5-3-4-6-8/h3-5,7H2,1-2H3
InChIKeyBARXSXKQUWRZPP-UHFFFAOYSA-N
XLogP1.17
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(methyl)amino]pentanenitrile?
The IUPAC name of 5-[methoxy(methyl)amino]pentanenitrile (CID 118335786) is 5-[methoxy(methyl)amino]pentanenitrile.
What is the SMILES notation for 5-[methoxy(methyl)amino]pentanenitrile?
The canonical SMILES for 5-[methoxy(methyl)amino]pentanenitrile is CON(C)CCCCC#N.
What is the InChIKey of 5-[methoxy(methyl)amino]pentanenitrile?
The InChIKey is BARXSXKQUWRZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9(10-2)7-5-3-4-6-8/h3-5,7H2,1-2H3.
What are the key properties of 5-[methoxy(methyl)amino]pentanenitrile?
5-[methoxy(methyl)amino]pentanenitrile has a molecular weight of 142.20 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(methyl)amino]pentanenitrile is sourced from PubChem (CID 118335786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).