2-ethyl-2-(3-hydroxypropylamino)hexanenitrile

C11H22N2O — CID 63952049

IUPAC2-ethyl-2-(3-hydroxypropylamino)hexanenitrile
SMILESCCCCC(C#N)(CC)NCCCO
InChIInChI=1S/C11H22N2O/c1-3-5-7-11(4-2,10-12)13-8-6-9-14/h13-14H,3-9H2,1-2H3
InChIKeyCKZWKMFTFIWTSU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.82
Rot. Bonds8

About 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile

2-ethyl-2-(3-hydroxypropylamino)hexanenitrile (PubChem CID 63952049) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(3-hydroxypropylamino)hexanenitrile
PubChem CID63952049
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-ethyl-2-(3-hydroxypropylamino)hexanenitrile
SMILESCCCCC(C#N)(CC)NCCCO
InChIInChI=1S/C11H22N2O/c1-3-5-7-11(4-2,10-12)13-8-6-9-14/h13-14H,3-9H2,1-2H3
InChIKeyCKZWKMFTFIWTSU-UHFFFAOYSA-N
XLogP1.82
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propylamino)pentanenitrile
CID 106805061
2-(3-azidopropylamino)-2-ethylhexanenitrile
CID 66189690
2-(3-hydroxypropylamino)-2-methylnonanenitrile
CID 62588050
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
CID 106804355
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-ethyl-5-(3-methylbutylsulfanyl)-2-(propylamino)pentanenitrile
CID 107755114
2-propyl-2-(propylamino)pentanenitrile
CID 28900772
5-cyclohexylsulfanyl-2-ethyl-2-(propylamino)pentanenitrile
CID 106805261

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile?
The IUPAC name of 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile (CID 63952049) is 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile.
What is the SMILES notation for 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile?
The canonical SMILES for 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile is CCCCC(C#N)(CC)NCCCO.
What is the InChIKey of 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile?
The InChIKey is CKZWKMFTFIWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-7-11(4-2,10-12)13-8-6-9-14/h13-14H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile?
2-ethyl-2-(3-hydroxypropylamino)hexanenitrile has a molecular weight of 198.31 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-hydroxypropylamino)hexanenitrile is sourced from PubChem (CID 63952049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).