N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine

C12H27NO2 — CID 142553849

IUPACN-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COC(C)(C)COC
InChIInChI=1S/C12H27NO2/c1-7-13-8-11(2,3)9-15-12(4,5)10-14-6/h13H,7-10H2,1-6H3
InChIKeyQSTYBWFYVCQZPH-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds8

About N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine

N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine (PubChem CID 142553849) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine
PubChem CID142553849
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COC(C)(C)COC
InChIInChI=1S/C12H27NO2/c1-7-13-8-11(2,3)9-15-12(4,5)10-14-6/h13H,7-10H2,1-6H3
InChIKeyQSTYBWFYVCQZPH-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine
CID 139968987
N-ethyl-2-methoxy-2-methylpropan-1-amine;molecular hydrogen
CID 165411003
N-ethyl-2-methyl-2-(2-methylbutan-2-yloxy)propan-1-amine
CID 62353804
N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591463
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine (CID 142553849) is N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COC(C)(C)COC.
What is the InChIKey of N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine?
The InChIKey is QSTYBWFYVCQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-7-13-8-11(2,3)9-15-12(4,5)10-14-6/h13H,7-10H2,1-6H3.
What are the key properties of N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine?
N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 142553849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).