3-[methyl(oxan-4-yl)amino]pentanenitrile

C11H20N2O — CID 43611172

IUPAC3-[methyl(oxan-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-10(4-7-12)13(2)11-5-8-14-9-6-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyFZKCGOVGNZWHQI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.79
Rot. Bonds4

About 3-[methyl(oxan-4-yl)amino]pentanenitrile

3-[methyl(oxan-4-yl)amino]pentanenitrile (PubChem CID 43611172) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]pentanenitrile
PubChem CID43611172
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[methyl(oxan-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-10(4-7-12)13(2)11-5-8-14-9-6-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyFZKCGOVGNZWHQI-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]pentanenitrile?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]pentanenitrile (CID 43611172) is 3-[methyl(oxan-4-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]pentanenitrile?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]pentanenitrile is CCC(CC#N)N(C)C1CCOCC1.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]pentanenitrile?
The InChIKey is FZKCGOVGNZWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-10(4-7-12)13(2)11-5-8-14-9-6-11/h10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[methyl(oxan-4-yl)amino]pentanenitrile?
3-[methyl(oxan-4-yl)amino]pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]pentanenitrile is sourced from PubChem (CID 43611172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).