2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile

C14H20N2O — CID 106804572

IUPAC2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile
SMILESCCC(N)(C#N)CCCOc1ccccc1C
InChIInChI=1S/C14H20N2O/c1-3-14(16,11-15)9-6-10-17-13-8-5-4-7-12(13)2/h4-5,7-8H,3,6,9-10,16H2,1-2H3
InChIKeyXNYMRAMALPIEFO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.79
Rot. Bonds6

About 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile

2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile (PubChem CID 106804572) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile
PubChem CID106804572
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile
SMILESCCC(N)(C#N)CCCOc1ccccc1C
InChIInChI=1S/C14H20N2O/c1-3-14(16,11-15)9-6-10-17-13-8-5-4-7-12(13)2/h4-5,7-8H,3,6,9-10,16H2,1-2H3
InChIKeyXNYMRAMALPIEFO-UHFFFAOYSA-N
XLogP2.79
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.79
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

2,2-diethyl-6-(2-methylphenoxy)hexanenitrile
CID 82138641
2-amino-2-ethyl-5-(2-fluoro-5-methylphenoxy)pentanenitrile
CID 106804842
5-(2,3-dimethylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804519
2,2-dimethyl-5-(2-methylphenoxy)pentanethioamide
CID 65259553
2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine
CID 82138560
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515
2-amino-5-(2-bromo-5-nitrophenoxy)-2-ethylpentanenitrile
CID 106804959
2-amino-5-(4-butan-2-ylphenoxy)-2-ethylpentanenitrile
CID 107667835
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
CID 106804662
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile (CID 106804572) is 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile is CCC(N)(C#N)CCCOc1ccccc1C.
What is the InChIKey of 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile?
The InChIKey is XNYMRAMALPIEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-14(16,11-15)9-6-10-17-13-8-5-4-7-12(13)2/h4-5,7-8H,3,6,9-10,16H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile?
2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile is sourced from PubChem (CID 106804572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).