2-(2-hydroxyethylamino)nonanenitrile

C11H22N2O — CID 62587141

IUPAC2-(2-hydroxyethylamino)nonanenitrile
SMILESCCCCCCCC(C#N)NCCO
InChIInChI=1S/C11H22N2O/c1-2-3-4-5-6-7-11(10-12)13-8-9-14/h11,13-14H,2-9H2,1H3
InChIKeyLPMAENPPUQMVQW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.82
Rot. Bonds9

About 2-(2-hydroxyethylamino)nonanenitrile

2-(2-hydroxyethylamino)nonanenitrile (PubChem CID 62587141) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)nonanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)nonanenitrile
PubChem CID62587141
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(2-hydroxyethylamino)nonanenitrile
SMILESCCCCCCCC(C#N)NCCO
InChIInChI=1S/C11H22N2O/c1-2-3-4-5-6-7-11(10-12)13-8-9-14/h11,13-14H,2-9H2,1H3
InChIKeyLPMAENPPUQMVQW-UHFFFAOYSA-N
XLogP1.82
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-(2-hydroxyethylamino)pentanenitrile
CID 62586058
2-(2-methoxyethylamino)octanenitrile
CID 62540992
2-(3-azidopropylamino)nonanenitrile
CID 66190474
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
2-(cyclopropylmethylamino)heptanenitrile
CID 60996351
2-(hydroxymethyl)undecanenitrile
CID 63215515
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
(2-hydroxyethylamino)-trioctylphosphanium
CID 174515804
6-hydroxy-2-(methylamino)hexanenitrile
CID 55287361
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)nonanenitrile?
The IUPAC name of 2-(2-hydroxyethylamino)nonanenitrile (CID 62587141) is 2-(2-hydroxyethylamino)nonanenitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)nonanenitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)nonanenitrile is CCCCCCCC(C#N)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)nonanenitrile?
The InChIKey is LPMAENPPUQMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-4-5-6-7-11(10-12)13-8-9-14/h11,13-14H,2-9H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)nonanenitrile?
2-(2-hydroxyethylamino)nonanenitrile has a molecular weight of 198.31 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)nonanenitrile is sourced from PubChem (CID 62587141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).