3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine

C12H27NO3 — CID 106675103

IUPAC3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
SMILESCOCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C12H27NO3/c1-12(2,15-4)6-8-13-7-5-9-16-11-10-14-3/h13H,5-11H2,1-4H3
InChIKeyPUEHMALMAJGEOI-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.44
Rot. Bonds11

About 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine

3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine (PubChem CID 106675103) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
PubChem CID106675103
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
SMILESCOCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C12H27NO3/c1-12(2,15-4)6-8-13-7-5-9-16-11-10-14-3/h13H,5-11H2,1-4H3
InChIKeyPUEHMALMAJGEOI-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 107844046

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine?
The IUPAC name of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine (CID 106675103) is 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine?
The canonical SMILES for 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine is COCCOCCCNCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine?
The InChIKey is PUEHMALMAJGEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-12(2,15-4)6-8-13-7-5-9-16-11-10-14-3/h13H,5-11H2,1-4H3.
What are the key properties of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine?
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.44, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 106675103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).