2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile

C13H26N2O3 — CID 106804965

IUPAC2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
SMILESCCC(N)(C#N)CCCOCCOCCCOC
InChIInChI=1S/C13H26N2O3/c1-3-13(15,12-14)6-4-8-17-10-11-18-9-5-7-16-2/h3-11,15H2,1-2H3
InChIKeyOMCOTIYVFQPNTO-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.47
Rot. Bonds12

About 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile

2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile (PubChem CID 106804965) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
PubChem CID106804965
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
SMILESCCC(N)(C#N)CCCOCCOCCCOC
InChIInChI=1S/C13H26N2O3/c1-3-13(15,12-14)6-4-8-17-10-11-18-9-5-7-16-2/h3-11,15H2,1-2H3
InChIKeyOMCOTIYVFQPNTO-UHFFFAOYSA-N
XLogP1.47
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.47
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-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
CID 103404479
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
3-ethyl-1-(3-methoxypropoxy)pentan-3-amine
CID 103184740
2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile
CID 63686232
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
CID 106804662
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
1-(3-methoxypropoxy)-2-methylbutan-2-amine
CID 64573392
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile (CID 106804965) is 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile is CCC(N)(C#N)CCCOCCOCCCOC.
What is the InChIKey of 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile?
The InChIKey is OMCOTIYVFQPNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-13(15,12-14)6-4-8-17-10-11-18-9-5-7-16-2/h3-11,15H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile?
2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile has a molecular weight of 258.36 g/mol, XLogP of 1.47, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile is sourced from PubChem (CID 106804965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).