N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine

C12H27NO3 — CID 107506939

IUPACN-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
SMILESCCNC(COC)COCCOC(C)(C)C
InChIInChI=1S/C12H27NO3/c1-6-13-11(9-14-5)10-15-7-8-16-12(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyVLACHVZLYIRKRP-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.44
Rot. Bonds9

About N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine

N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine (PubChem CID 107506939) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
PubChem CID107506939
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC NameN-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
SMILESCCNC(COC)COCCOC(C)(C)C
InChIInChI=1S/C12H27NO3/c1-6-13-11(9-14-5)10-15-7-8-16-12(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyVLACHVZLYIRKRP-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
CID 112587358
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
1-(3,3-dimethylbutoxy)-N-ethylbutan-2-amine
CID 66231555
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64802946
N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869
N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
CID 114201763
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol
CID 112590416
4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
CID 106152372
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine (CID 107506939) is N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine is CCNC(COC)COCCOC(C)(C)C.
What is the InChIKey of N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
The InChIKey is VLACHVZLYIRKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-6-13-11(9-14-5)10-15-7-8-16-12(2,3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine is sourced from PubChem (CID 107506939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).