2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine

C12H27NO — CID 65051289

IUPAC2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OCCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-12(7-2,10-13)14-9-8-11(3,4)5/h6-10,13H2,1-5H3
InChIKeyJANWFRVQVZKGNW-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds6

About 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine

2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine (PubChem CID 65051289) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine
PubChem CID65051289
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OCCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-12(7-2,10-13)14-9-8-11(3,4)5/h6-10,13H2,1-5H3
InChIKeyJANWFRVQVZKGNW-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 2-(3,3-dimethylbutoxy)-2-ethylbutan-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

Related Compounds

2-ethoxy-2-ethylbutan-1-amine
CID 65051068
2-ethyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 65051183
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591457
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
2-ethyl-2-(2-phenoxyethoxy)butan-1-amine
CID 65050959
2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine
CID 65051134
2-ethyl-2-(2-methylbutoxy)butan-1-amine
CID 65051236
2-(3,3-dimethylbutoxy)butan-2-yl-methoxyphosphinothious acid
CID 146429786
2-amino-2-(3,3-dimethylbutoxy)propanal
CID 174246951
3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 89254911
2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
CID 123870350

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine (CID 65051289) is 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine is CCC(CC)(CN)OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine?
The InChIKey is JANWFRVQVZKGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(7-2,10-13)14-9-8-11(3,4)5/h6-10,13H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine?
2-(3,3-dimethylbutoxy)-2-ethylbutan-1-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 2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine is sourced from PubChem (CID 65051289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).