N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine

C13H29NO — CID 66225521

IUPACN-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-13(5,6)14-9-11-15-10-8-12(2,3)4/h14H,7-11H2,1-6H3
InChIKeyYKHMJUFLERRZKS-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine

N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine (PubChem CID 66225521) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine
PubChem CID66225521
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-13(5,6)14-9-11-15-10-8-12(2,3)4/h14H,7-11H2,1-6H3
InChIKeyYKHMJUFLERRZKS-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine (CID 66225521) is N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NCCOCCC(C)(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine?
The InChIKey is YKHMJUFLERRZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-13(5,6)14-9-11-15-10-8-12(2,3)4/h14H,7-11H2,1-6H3.
What are the key properties of N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine?
N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutoxy)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 66225521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).