3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine

C12H27NO3 — CID 103181128

IUPAC3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COCCOCCCOC
InChIInChI=1S/C12H27NO3/c1-12(2,10-13-3)11-16-9-8-15-7-5-6-14-4/h13H,5-11H2,1-4H3
InChIKeyUCXYCTNFIGVKSX-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.30
Rot. Bonds11

About 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine

3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine (PubChem CID 103181128) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine
PubChem CID103181128
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COCCOCCCOC
InChIInChI=1S/C12H27NO3/c1-12(2,10-13-3)11-16-9-8-15-7-5-6-14-4/h13H,5-11H2,1-4H3
InChIKeyUCXYCTNFIGVKSX-UHFFFAOYSA-N
XLogP1.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
CID 103406228
2-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylpropan-1-amine
CID 104566505
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
CID 71757519
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723721
3-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)propanamide
CID 103180146
ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
CID 176551886
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
N-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine (CID 103181128) is 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)COCCOCCCOC.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine?
The InChIKey is UCXYCTNFIGVKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-12(2,10-13-3)11-16-9-8-15-7-5-6-14-4/h13H,5-11H2,1-4H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine?
3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 103181128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).