2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile

C13H22N2O — CID 106204139

IUPAC2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
SMILESCC(C#N)(CCOCCC1CC1)NC1CC1
InChIInChI=1S/C13H22N2O/c1-13(10-14,15-12-4-5-12)7-9-16-8-6-11-2-3-11/h11-12,15H,2-9H2,1H3
InChIKeyUHZHLWYNFQVCSS-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.23
Rot. Bonds8

About 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile

2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile (PubChem CID 106204139) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
PubChem CID106204139
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
SMILESCC(C#N)(CCOCCC1CC1)NC1CC1
InChIInChI=1S/C13H22N2O/c1-13(10-14,15-12-4-5-12)7-9-16-8-6-11-2-3-11/h11-12,15H,2-9H2,1H3
InChIKeyUHZHLWYNFQVCSS-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958
2-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropanenitrile
CID 66227202
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
CID 106204201
2-(cyclopropylamino)-4-(3-methoxypropylsulfanyl)-2-methylbutanenitrile
CID 63856336
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
CID 64520439
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
CID 62549087
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774
2-(cyclopropylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentanenitrile
CID 82787982
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile
CID 107667842
2-(cyclopentylamino)-2,5-dimethylhexanenitrile
CID 61002466

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile (CID 106204139) is 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile is CC(C#N)(CCOCCC1CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile?
The InChIKey is UHZHLWYNFQVCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(10-14,15-12-4-5-12)7-9-16-8-6-11-2-3-11/h11-12,15H,2-9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile?
2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile has a molecular weight of 222.33 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile is sourced from PubChem (CID 106204139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).