2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile

C11H22N2O2 — CID 63686232

IUPAC2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile
SMILESCCCOCCOCCCC(C)(N)C#N
InChIInChI=1S/C11H22N2O2/c1-3-6-14-8-9-15-7-4-5-11(2,13)10-12/h3-9,13H2,1-2H3
InChIKeyJWLLSXRKMNQGGC-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.45
Rot. Bonds9

About 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile

2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile (PubChem CID 63686232) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile
PubChem CID63686232
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile
SMILESCCCOCCOCCCC(C)(N)C#N
InChIInChI=1S/C11H22N2O2/c1-3-6-14-8-9-15-7-4-5-11(2,13)10-12/h3-9,13H2,1-2H3
InChIKeyJWLLSXRKMNQGGC-UHFFFAOYSA-N
XLogP1.45
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
CID 103404479
2-amino-2-methyl-6-(4,4,4-trifluorobutoxy)hexanenitrile
CID 82789516
2-amino-5-(3-methoxy-3-methylbutoxy)-2-methylpentanenitrile
CID 106666621
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783
2,2-dimethyl-6-propoxyhexanenitrile
CID 106710437
2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
CID 106804965
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
3-(4-propoxybutoxy)propanenitrile
CID 146175563
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
ethane;1-(2-propoxyethoxy)butane
CID 164535746

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile (CID 63686232) is 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile is CCCOCCOCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile?
The InChIKey is JWLLSXRKMNQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-14-8-9-15-7-4-5-11(2,13)10-12/h3-9,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile?
2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile has a molecular weight of 214.31 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile is sourced from PubChem (CID 63686232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).