2-amino-5-butan-2-yloxy-2-ethylpentanenitrile

C11H22N2O — CID 106804662

IUPAC2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
SMILESCCC(C)OCCCC(N)(C#N)CC
InChIInChI=1S/C11H22N2O/c1-4-10(3)14-8-6-7-11(13,5-2)9-12/h10H,4-8,13H2,1-3H3
InChIKeyFJKZCIGICVYZLF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.21
Rot. Bonds7

About 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile

2-amino-5-butan-2-yloxy-2-ethylpentanenitrile (PubChem CID 106804662) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
PubChem CID106804662
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
SMILESCCC(C)OCCCC(N)(C#N)CC
InChIInChI=1S/C11H22N2O/c1-4-10(3)14-8-6-7-11(13,5-2)9-12/h10H,4-8,13H2,1-3H3
InChIKeyFJKZCIGICVYZLF-UHFFFAOYSA-N
XLogP2.21
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.21
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-amino-5-(4-butan-2-ylphenoxy)-2-ethylpentanenitrile
CID 107667835
2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
CID 106804965
2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
CID 106803848
3-butan-2-yloxypropan-1-amine
CID 54795719
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
CID 106803086
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810597
2-amino-2-ethyl-5-(2-fluoro-5-methylphenoxy)pentanenitrile
CID 106804842
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile?
The IUPAC name of 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile (CID 106804662) is 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile.
What is the SMILES notation for 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile?
The canonical SMILES for 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile is CCC(C)OCCCC(N)(C#N)CC.
What is the InChIKey of 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile?
The InChIKey is FJKZCIGICVYZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-10(3)14-8-6-7-11(13,5-2)9-12/h10H,4-8,13H2,1-3H3.
What are the key properties of 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile?
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile has a molecular weight of 198.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butan-2-yloxy-2-ethylpentanenitrile is sourced from PubChem (CID 106804662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).