2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile

C14H26N2O3 — CID 103404521

IUPAC2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
SMILESCOCCOCCCOCCC(C)(C#N)NC1CC1
InChIInChI=1S/C14H26N2O3/c1-14(12-15,16-13-4-5-13)6-9-18-7-3-8-19-11-10-17-2/h13,16H,3-11H2,1-2H3
InChIKeyVFNFRSNBFMEEEW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds12

About 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile

2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile (PubChem CID 103404521) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
PubChem CID103404521
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
SMILESCOCCOCCCOCCC(C)(C#N)NC1CC1
InChIInChI=1S/C14H26N2O3/c1-14(12-15,16-13-4-5-13)6-9-18-7-3-8-19-11-10-17-2/h13,16H,3-11H2,1-2H3
InChIKeyVFNFRSNBFMEEEW-UHFFFAOYSA-N
XLogP1.48
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
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-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
CID 106204139
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958
2-(cyclopropylamino)-4-(3-methoxypropylsulfanyl)-2-methylbutanenitrile
CID 63856336
2-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropanenitrile
CID 66227202
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103179755
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
CID 103404479
2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile
CID 103537857
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
CID 103537820

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile (CID 103404521) is 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile is COCCOCCCOCCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile?
The InChIKey is VFNFRSNBFMEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(12-15,16-13-4-5-13)6-9-18-7-3-8-19-11-10-17-2/h13,16H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile?
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile has a molecular weight of 270.37 g/mol, XLogP of 1.48, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile is sourced from PubChem (CID 103404521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).