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

C12H23NO2 — CID 114467316

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine
SMILESC=C(C)COCCNCCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-11(2)10-14-9-7-13-6-5-12-4-3-8-15-12/h12-13H,1,3-10H2,2H3
InChIKeyAPTUIRRFEUZESV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

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

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 114467316) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine
PubChem CID114467316
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine
SMILESC=C(C)COCCNCCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-11(2)10-14-9-7-13-6-5-12-4-3-8-15-12/h12-13H,1,3-10H2,2H3
InChIKeyAPTUIRRFEUZESV-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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-(oxolan-2-ylmethyl)-2-prop-2-enoxypropan-1-amine
CID 62573142
3-(2-Methylidenebutoxy)pyrrolidine
CID 66045027
2-[2-(2-Methylprop-2-enoxy)ethyl]pyrrolidine
CID 84050137
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine
CID 103991387
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104530387
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104668698
6-[2-(2-Methylprop-2-enoxy)ethylamino]hexan-1-ol
CID 107703679
2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 114465645
2-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 114465814
N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114465942
2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114465962
1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466258

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine (CID 114467316) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine is C=C(C)COCCNCCC1CCCO1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is APTUIRRFEUZESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)10-14-9-7-13-6-5-12-4-3-8-15-12/h12-13H,1,3-10H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 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-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114467316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).