N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine

C12H25NO2 — CID 106452619

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
SMILESC=C(C)COCCNCCOCC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h12-13H,1,5-10H2,2-4H3
InChIKeyJXGCBTFOKMUNQH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.84
Rot. Bonds10

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 106452619) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
PubChem CID106452619
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
SMILESC=C(C)COCCNCCOCC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h12-13H,1,5-10H2,2-4H3
InChIKeyJXGCBTFOKMUNQH-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.84
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

N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467227
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114467234
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467454
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467497
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 114467715
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
Bis-(2-allyloxy-ethyl)-amine
CID 22899057
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
Bis(2-prop-2-enoxyethyl)azanium
CID 57895943
N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
CID 58451787

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine (CID 106452619) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine is C=C(C)COCCNCCOCC(C)C.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is JXGCBTFOKMUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h12-13H,1,5-10H2,2-4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 106452619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).