3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile

C10H20N2O — CID 61451674

IUPAC3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-10(6-7-11)12(3)9(2)8-13-4/h9-10H,5-6,8H2,1-4H3
InChIKeyAGOLCACREZIQTC-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.65
Rot. Bonds6

About 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile

3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile (PubChem CID 61451674) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
PubChem CID61451674
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-10(6-7-11)12(3)9(2)8-13-4/h9-10H,5-6,8H2,1-4H3
InChIKeyAGOLCACREZIQTC-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile?
The IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile (CID 61451674) is 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile.
What is the SMILES notation for 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile?
The canonical SMILES for 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile is CCC(CC#N)N(C)C(C)COC.
What is the InChIKey of 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile?
The InChIKey is AGOLCACREZIQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-10(6-7-11)12(3)9(2)8-13-4/h9-10H,5-6,8H2,1-4H3.
What are the key properties of 3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile?
3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile has a molecular weight of 184.28 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-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile is sourced from PubChem (CID 61451674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).