2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine

C12H28N2O — CID 79679961

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine
SMILESCNCC(OCC(C)(C)N(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)11(8-13-5)15-9-12(3,4)14(6)7/h10-11,13H,8-9H2,1-7H3
InChIKeyJTPZOTFMOZZPHU-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds7

About 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine

2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine (PubChem CID 79679961) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine
PubChem CID79679961
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine
SMILESCNCC(OCC(C)(C)N(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)11(8-13-5)15-9-12(3,4)14(6)7/h10-11,13H,8-9H2,1-7H3
InChIKeyJTPZOTFMOZZPHU-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine (CID 79679961) is 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine is CNCC(OCC(C)(C)N(C)C)C(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine?
The InChIKey is JTPZOTFMOZZPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)11(8-13-5)15-9-12(3,4)14(6)7/h10-11,13H,8-9H2,1-7H3.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine?
2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79679961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).