4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile

C14H26N2O — CID 106204201

IUPAC4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCOCCC1CCC1
InChIInChI=1S/C14H26N2O/c1-3-9-16-14(2,12-15)8-11-17-10-7-13-5-4-6-13/h13,16H,3-11H2,1-2H3
InChIKeyZTNNDUUGFCYNGC-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.87
Rot. Bonds9

About 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile

4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile (PubChem CID 106204201) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
PubChem CID106204201
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCOCCC1CCC1
InChIInChI=1S/C14H26N2O/c1-3-9-16-14(2,12-15)8-11-17-10-7-13-5-4-6-13/h13,16H,3-11H2,1-2H3
InChIKeyZTNNDUUGFCYNGC-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.87
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

3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile
CID 62384117
2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
CID 106204139
4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile
CID 114208522
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 104968525
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile (CID 106204201) is 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile is CCCNC(C)(C#N)CCOCCC1CCC1.
What is the InChIKey of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile?
The InChIKey is ZTNNDUUGFCYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-9-16-14(2,12-15)8-11-17-10-7-13-5-4-6-13/h13,16H,3-11H2,1-2H3.
What are the key properties of 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile?
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 106204201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).