1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine

C11H25NO2 — CID 170722890

IUPAC1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine
SMILESCCOCCC(C)(C)OCC(C)(C)N
InChIInChI=1S/C11H25NO2/c1-6-13-8-7-11(4,5)14-9-10(2,3)12/h6-9,12H2,1-5H3
InChIKeyTVFHIXDQBRCTEQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.95
Rot. Bonds7

About 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine

1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine (PubChem CID 170722890) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine
PubChem CID170722890
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine
SMILESCCOCCC(C)(C)OCC(C)(C)N
InChIInChI=1S/C11H25NO2/c1-6-13-8-7-11(4,5)14-9-10(2,3)12/h6-9,12H2,1-5H3
InChIKeyTVFHIXDQBRCTEQ-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-amino-2-methylpropoxy)-3-methylbutoxy]acetic acid
CID 160561756
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
3-(2-amino-2-methylpropoxy)-N-[2-(2-amino-2-methylpropoxy)-2-methylpropyl]-3-methylbutan-1-amine
CID 131999562
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
2-cyclopropyl-4-ethoxybutan-2-amine
CID 114997109
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
4-ethoxy-1-methoxy-2,2-dimethylbutane
CID 102175651
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
CID 90873357
1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine
CID 146393761

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine?
The IUPAC name of 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine (CID 170722890) is 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine is CCOCCC(C)(C)OCC(C)(C)N.
What is the InChIKey of 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine?
The InChIKey is TVFHIXDQBRCTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-13-8-7-11(4,5)14-9-10(2,3)12/h6-9,12H2,1-5H3.
What are the key properties of 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine?
1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine is sourced from PubChem (CID 170722890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).