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

C13H29NO — CID 164724475

IUPACN-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCOCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-12(2,3)8-10-15-11-9-14(7)13(4,5)6/h8-11H2,1-7H3
InChIKeyVCOIUUMYXGIQRI-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds5

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

N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine (PubChem CID 164724475) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
PubChem CID164724475
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCOCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-12(2,3)8-10-15-11-9-14(7)13(4,5)6/h8-11H2,1-7H3
InChIKeyVCOIUUMYXGIQRI-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
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]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine (CID 164724475) is N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine is CN(CCOCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine?
The InChIKey is VCOIUUMYXGIQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2,3)8-10-15-11-9-14(7)13(4,5)6/h8-11H2,1-7H3.
What are the key properties of N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine?
N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 164724475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).