6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile

C14H26N2O — CID 114184090

IUPAC6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile
SMILESC=CCCOCCNCCCCC(C)(C)C#N
InChIInChI=1S/C14H26N2O/c1-4-5-11-17-12-10-16-9-7-6-8-14(2,3)13-15/h4,16H,1,5-12H2,2-3H3
InChIKeyOQECAEGQRTWVCH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds11

About 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile

6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile (PubChem CID 114184090) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile
PubChem CID114184090
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile
SMILESC=CCCOCCNCCCCC(C)(C)C#N
InChIInChI=1S/C14H26N2O/c1-4-5-11-17-12-10-16-9-7-6-8-14(2,3)13-15/h4,16H,1,5-12H2,2-3H3
InChIKeyOQECAEGQRTWVCH-UHFFFAOYSA-N
XLogP2.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
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

2-(2-Methoxyethylamino)-2-methylhex-5-enenitrile
CID 104655938
5-(2-But-3-enoxyethylamino)pentanenitrile
CID 106401384
4-(2-But-3-enoxyethylamino)-2,2-dimethylbutanenitrile
CID 106401739
5-(2-But-3-enoxyethylamino)-2,2-dimethylpentanenitrile
CID 106401933
2-[1-[(2-But-3-enoxyethylamino)methyl]cyclopropyl]acetonitrile
CID 106401934
2,2-Dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
CID 106709665
5-(2-But-3-enoxyethylamino)-4,4-dimethylpentanenitrile
CID 115770543

Frequently Asked Questions

What is the IUPAC name of 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile (CID 114184090) is 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile is C=CCCOCCNCCCCC(C)(C)C#N.
What is the InChIKey of 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile?
The InChIKey is OQECAEGQRTWVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-11-17-12-10-16-9-7-6-8-14(2,3)13-15/h4,16H,1,5-12H2,2-3H3.
What are the key properties of 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile?
6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-but-3-enoxyethylamino)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 114184090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).