3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

C12H27NO2 — CID 79619564

IUPAC3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCCOCCOCC(C)(C)CNC(C)C
InChIInChI=1S/C12H27NO2/c1-6-14-7-8-15-10-12(4,5)9-13-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyIQPMPTOWTKJHFO-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds9

About 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 79619564) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID79619564
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCCOCCOCC(C)(C)CNC(C)C
InChIInChI=1S/C12H27NO2/c1-6-14-7-8-15-10-12(4,5)9-13-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyIQPMPTOWTKJHFO-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
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

4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
2,2-dimethyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 79621622
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 103984597
3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79627805
3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 82831932
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641012
5-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 79570397
2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456797
2-(2-ethoxyethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139517
2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine
CID 79627722

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 79619564) is 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CCOCCOCC(C)(C)CNC(C)C.
What is the InChIKey of 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is IQPMPTOWTKJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-14-7-8-15-10-12(4,5)9-13-11(2)3/h11,13H,6-10H2,1-5H3.
What are the key properties of 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79619564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).