6-hydroxy-2-(methylamino)hexanenitrile

C7H14N2O — CID 55287361

IUPAC6-hydroxy-2-(methylamino)hexanenitrile
SMILESCNC(C#N)CCCCO
InChIInChI=1S/C7H14N2O/c1-9-7(6-8)4-2-3-5-10/h7,9-10H,2-5H2,1H3
InChIKeyRRNUHTJCWHTTID-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.26
Rot. Bonds5

About 6-hydroxy-2-(methylamino)hexanenitrile

6-hydroxy-2-(methylamino)hexanenitrile (PubChem CID 55287361) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-hydroxy-2-(methylamino)hexanenitrile.

Molecular Properties

Compound Name6-hydroxy-2-(methylamino)hexanenitrile
PubChem CID55287361
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name6-hydroxy-2-(methylamino)hexanenitrile
SMILESCNC(C#N)CCCCO
InChIInChI=1S/C7H14N2O/c1-9-7(6-8)4-2-3-5-10/h7,9-10H,2-5H2,1H3
InChIKeyRRNUHTJCWHTTID-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.26
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

6-hydroxy-2-(methylamino)hexanenitrile;5-hydroxypentanal
CID 159715785
5-methyl-2-(methylamino)hexanenitrile
CID 131187113
2-(2-hydroxyethylamino)nonanenitrile
CID 62587141
tris(5-methylhexan-1-ol);titanium;dihydrate
CID 175523388
(1-cyano-4-hydroxybutyl)urea
CID 87954520
4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanenitrile
CID 63052980
ethane;5-hydroxypentanenitrile
CID 144859936
alumane;6-methylheptan-1-ol
CID 174615736
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102745417

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(methylamino)hexanenitrile?
The IUPAC name of 6-hydroxy-2-(methylamino)hexanenitrile (CID 55287361) is 6-hydroxy-2-(methylamino)hexanenitrile.
What is the SMILES notation for 6-hydroxy-2-(methylamino)hexanenitrile?
The canonical SMILES for 6-hydroxy-2-(methylamino)hexanenitrile is CNC(C#N)CCCCO.
What is the InChIKey of 6-hydroxy-2-(methylamino)hexanenitrile?
The InChIKey is RRNUHTJCWHTTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-7(6-8)4-2-3-5-10/h7,9-10H,2-5H2,1H3.
What are the key properties of 6-hydroxy-2-(methylamino)hexanenitrile?
6-hydroxy-2-(methylamino)hexanenitrile has a molecular weight of 142.20 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(methylamino)hexanenitrile is sourced from PubChem (CID 55287361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).