2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile

C10H20N2O — CID 62586421

IUPAC2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile
SMILESCC(C)CCC(C)(C#N)NCCO
InChIInChI=1S/C10H20N2O/c1-9(2)4-5-10(3,8-11)12-6-7-13/h9,12-13H,4-7H2,1-3H3
InChIKeyMHDCVDNBCLWJOP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.29
Rot. Bonds6

About 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile

2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile (PubChem CID 62586421) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile
PubChem CID62586421
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile
SMILESCC(C)CCC(C)(C#N)NCCO
InChIInChI=1S/C10H20N2O/c1-9(2)4-5-10(3,8-11)12-6-7-13/h9,12-13H,4-7H2,1-3H3
InChIKeyMHDCVDNBCLWJOP-UHFFFAOYSA-N
XLogP1.29
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile (CID 62586421) is 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile is CC(C)CCC(C)(C#N)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile?
The InChIKey is MHDCVDNBCLWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)4-5-10(3,8-11)12-6-7-13/h9,12-13H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile?
2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2,5-dimethylhexanenitrile is sourced from PubChem (CID 62586421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).