6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile

C13H24N2O2 — CID 106710137

IUPAC6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN1CCOCC1CO
InChIInChI=1S/C13H24N2O2/c1-13(2,11-14)5-3-4-6-15-7-8-17-10-12(15)9-16/h12,16H,3-10H2,1-2H3
InChIKeyVGFZGBHMRCWQTP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.40
Rot. Bonds6

About 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile

6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile (PubChem CID 106710137) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
PubChem CID106710137
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN1CCOCC1CO
InChIInChI=1S/C13H24N2O2/c1-13(2,11-14)5-3-4-6-15-7-8-17-10-12(15)9-16/h12,16H,3-10H2,1-2H3
InChIKeyVGFZGBHMRCWQTP-UHFFFAOYSA-N
XLogP1.40
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile
CID 83815490
[4-[2-(methylamino)ethyl]morpholin-3-yl]methanol
CID 83816538
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
6-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylhexanenitrile
CID 106713819
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
[4-(sulfanylmethyl)morpholin-3-yl]methanol
CID 139499999
1-(5-cyano-5-methylhexyl)-2-methylpyrrolidine-3-carboxylic acid
CID 106713241
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
CID 106714588
2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile (CID 106710137) is 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCN1CCOCC1CO.
What is the InChIKey of 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
The InChIKey is VGFZGBHMRCWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,11-14)5-3-4-6-15-7-8-17-10-12(15)9-16/h12,16H,3-10H2,1-2H3.
What are the key properties of 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile has a molecular weight of 240.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106710137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).