2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile

C14H26N2O — CID 106709665

IUPAC2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
SMILESC=C(C)COCCNCCCCC(C)(C)C#N
InChIInChI=1S/C14H26N2O/c1-13(2)11-17-10-9-16-8-6-5-7-14(3,4)12-15/h16H,1,5-11H2,2-4H3
InChIKeyOBGWWWROMYEIGN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds10

About 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile

2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile (PubChem CID 106709665) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
PubChem CID106709665
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
SMILESC=C(C)COCCNCCCCC(C)(C)C#N
InChIInChI=1S/C14H26N2O/c1-13(2)11-17-10-9-16-8-6-5-7-14(3,4)12-15/h16H,1,5-11H2,2-4H3
InChIKeyOBGWWWROMYEIGN-UHFFFAOYSA-N
XLogP2.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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'}

Analyze 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile 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

6-(2-Ethoxyethylamino)-2,2-dimethylhexanenitrile
CID 106709097
6-(2-But-3-enoxyethylamino)-2,2-dimethylhexanenitrile
CID 114184090
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224
4-[2-(2-Methylprop-2-enoxy)ethylamino]butanenitrile
CID 114467175
2,2-Dimethyl-4-[2-(2-methylprop-2-enoxy)ethylamino]butanenitrile
CID 114467375
2,2-Dimethyl-5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile
CID 114467504
2-[1-[[2-(2-Methylprop-2-enoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 114467714
5-[2-(2-Methylprop-2-enoxy)ethylamino]pentanenitrile
CID 114467775
4,4-Dimethyl-5-[2-(2-methylprop-2-enoxy)ethylamino]pentanenitrile
CID 115699170
2-[2-(2-Methylprop-2-enoxy)ethylamino]cyclopentane-1-carbonitrile
CID 115903694

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile (CID 106709665) is 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile is C=C(C)COCCNCCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile?
The InChIKey is OBGWWWROMYEIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)11-17-10-9-16-8-6-5-7-14(3,4)12-15/h16H,1,5-11H2,2-4H3.
What are the key properties of 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile?
2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile is sourced from PubChem (CID 106709665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).