2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile

C12H24N2O3 — CID 103404479

IUPAC2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
SMILESCOCCOCCCOCCCC(C)(N)C#N
InChIInChI=1S/C12H24N2O3/c1-12(14,11-13)5-3-6-16-7-4-8-17-10-9-15-2/h3-10,14H2,1-2H3
InChIKeyJBAHUIQHLVXJBL-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.08
Rot. Bonds11

About 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile

2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile (PubChem CID 103404479) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
PubChem CID103404479
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
SMILESCOCCOCCCOCCCC(C)(N)C#N
InChIInChI=1S/C12H24N2O3/c1-12(14,11-13)5-3-6-16-7-4-8-17-10-9-15-2/h3-10,14H2,1-2H3
InChIKeyJBAHUIQHLVXJBL-UHFFFAOYSA-N
XLogP1.08
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile
CID 63686232
2-amino-5-(3-methoxy-3-methylbutoxy)-2-methylpentanenitrile
CID 106666621
2-amino-2-methyl-6-(4,4,4-trifluorobutoxy)hexanenitrile
CID 82789516
2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
CID 106804965
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol
CID 103407415
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile?
The IUPAC name of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile (CID 103404479) is 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile?
The canonical SMILES for 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile is COCCOCCCOCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile?
The InChIKey is JBAHUIQHLVXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(14,11-13)5-3-6-16-7-4-8-17-10-9-15-2/h3-10,14H2,1-2H3.
What are the key properties of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile?
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile has a molecular weight of 244.33 g/mol, XLogP of 1.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile is sourced from PubChem (CID 103404479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).