N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine

C11H23NO2 — CID 106452620

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine
SMILESC=C(C)COCCNCCOCCC
InChIInChI=1S/C11H23NO2/c1-4-7-13-8-5-12-6-9-14-10-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyLKBUJMFQWAZFKW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.60
Rot. Bonds10

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine

N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine (PubChem CID 106452620) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine
PubChem CID106452620
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine
SMILESC=C(C)COCCNCCOCCC
InChIInChI=1S/C11H23NO2/c1-4-7-13-8-5-12-6-9-14-10-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyLKBUJMFQWAZFKW-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.60
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

1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
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
(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
CID 22899053
Bis-(2-allyloxy-ethyl)-amine
CID 22899057

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine (CID 106452620) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine is C=C(C)COCCNCCOCCC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine?
The InChIKey is LKBUJMFQWAZFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-13-8-5-12-6-9-14-10-11(2)3/h12H,2,4-10H2,1,3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.60, 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-propoxyethanamine is sourced from PubChem (CID 106452620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).