N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine

C12H25NO2 — CID 114467162

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)10-14-8-6-13-7-9-15-12(3,4)5/h13H,1,6-10H2,2-5H3
InChIKeyACJVLVBJQHBOHJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds8

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 114467162) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID114467162
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)10-14-8-6-13-7-9-15-12(3,4)5/h13H,1,6-10H2,2-5H3
InChIKeyACJVLVBJQHBOHJ-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol
CID 114493779
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
(E)-4-[2-(2-methylprop-2-enoxy)ethylamino]but-2-enoic acid
CID 103268614
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
CID 114466800
N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 62599740
N,N-dimethyl-2-[2-(2-methylprop-2-enoxy)ethylamino]acetamide
CID 114467467
N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 62597133
3-(2-chloroethoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 106306021
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
2-(ethylamino)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467973
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 104929441

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 114467162) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCCOC(C)(C)C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is ACJVLVBJQHBOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)10-14-8-6-13-7-9-15-12(3,4)5/h13H,1,6-10H2,2-5H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 114467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).