6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile

C13H24N2O — CID 106713825

IUPAC6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
SMILESC=CCN(CCO)CCCCC(C)(C)C#N
InChIInChI=1S/C13H24N2O/c1-4-8-15(10-11-16)9-6-5-7-13(2,3)12-14/h4,16H,1,5-11H2,2-3H3
InChIKeyFIQYXDDAIRCOGF-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.19
Rot. Bonds9

About 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile

6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile (PubChem CID 106713825) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
PubChem CID106713825
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
SMILESC=CCN(CCO)CCCCC(C)(C)C#N
InChIInChI=1S/C13H24N2O/c1-4-8-15(10-11-16)9-6-5-7-13(2,3)12-14/h4,16H,1,5-11H2,2-3H3
InChIKeyFIQYXDDAIRCOGF-UHFFFAOYSA-N
XLogP2.19
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
6-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709935
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 60851340
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
CID 114496866
2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
CID 115633472

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile (CID 106713825) is 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile is C=CCN(CCO)CCCCC(C)(C)C#N.
What is the InChIKey of 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is FIQYXDDAIRCOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-8-15(10-11-16)9-6-5-7-13(2,3)12-14/h4,16H,1,5-11H2,2-3H3.
What are the key properties of 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile?
6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106713825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).