2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile

C12H20F2N2O — CID 106804902

IUPAC2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCOCC(F)F)NC1CC1
InChIInChI=1S/C12H20F2N2O/c1-2-12(9-15,16-10-4-5-10)6-3-7-17-8-11(13)14/h10-11,16H,2-8H2,1H3
InChIKeyNDGSOXBQJUCDGD-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.47
Rot. Bonds9

About 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile

2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile (PubChem CID 106804902) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
PubChem CID106804902
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCOCC(F)F)NC1CC1
InChIInChI=1S/C12H20F2N2O/c1-2-12(9-15,16-10-4-5-10)6-3-7-17-8-11(13)14/h10-11,16H,2-8H2,1H3
InChIKeyNDGSOXBQJUCDGD-UHFFFAOYSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.47
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

5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810677
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
CID 106805271
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-ethyl-2-(propan-2-ylamino)-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 106804907
2-(cyclopropylamino)-5-(2,5-dimethylphenyl)sulfanyl-2-ethylpentanenitrile
CID 106805224
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile (CID 106804902) is 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile is CCC(C#N)(CCCOCC(F)F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile?
The InChIKey is NDGSOXBQJUCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-2-12(9-15,16-10-4-5-10)6-3-7-17-8-11(13)14/h10-11,16H,2-8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile?
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile has a molecular weight of 246.30 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile is sourced from PubChem (CID 106804902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).