2-(2,2-dimethylpropoxy)-N-ethylethanamine

C9H21NO — CID 126704889

IUPAC2-(2,2-dimethylpropoxy)-N-ethylethanamine
SMILESCCNCCOCC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10-6-7-11-8-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyWIYWKXGUDTVLMY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About 2-(2,2-dimethylpropoxy)-N-ethylethanamine

2-(2,2-dimethylpropoxy)-N-ethylethanamine (PubChem CID 126704889) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-N-ethylethanamine
PubChem CID126704889
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(2,2-dimethylpropoxy)-N-ethylethanamine
SMILESCCNCCOCC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10-6-7-11-8-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyWIYWKXGUDTVLMY-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
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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Related Compounds

N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
CID 172821329
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
CID 143968135
3-[2-(ethylamino)ethoxymethyl]pentan-3-ol
CID 106939555
N-ethyl-2-(2-fluoroethoxy)ethanamine
CID 80696414
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
CID 66227733
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-[2-[2-(tert-butylamino)ethoxy]ethyl]butan-1-amine
CID 149134271

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-N-ethylethanamine?
The IUPAC name of 2-(2,2-dimethylpropoxy)-N-ethylethanamine (CID 126704889) is 2-(2,2-dimethylpropoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-N-ethylethanamine?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-N-ethylethanamine is CCNCCOCC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-N-ethylethanamine?
The InChIKey is WIYWKXGUDTVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-10-6-7-11-8-9(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-N-ethylethanamine?
2-(2,2-dimethylpropoxy)-N-ethylethanamine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-N-ethylethanamine is sourced from PubChem (CID 126704889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).