4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine

C12H27NO — CID 123326887

IUPAC4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine
SMILESCC(C)CC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C12H27NO/c1-10(2)9-12(5,6)14-8-7-11(3,4)13/h10H,7-9,13H2,1-6H3
InChIKeyUKXUEXDTYWODKG-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds6

About 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine

4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine (PubChem CID 123326887) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine
PubChem CID123326887
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine
SMILESCC(C)CC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C12H27NO/c1-10(2)9-12(5,6)14-8-7-11(3,4)13/h10H,7-9,13H2,1-6H3
InChIKeyUKXUEXDTYWODKG-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-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 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine?
The IUPAC name of 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine (CID 123326887) is 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine?
The canonical SMILES for 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine is CC(C)CC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine?
The InChIKey is UKXUEXDTYWODKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)9-12(5,6)14-8-7-11(3,4)13/h10H,7-9,13H2,1-6H3.
What are the key properties of 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine?
4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpentan-2-yloxy)-2-methylbutan-2-amine is sourced from PubChem (CID 123326887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).