N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine

C11H21NO2 — CID 22899058

IUPACN-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
SMILESC=CCOCCN(C)CCOCC=C
InChIInChI=1S/C11H21NO2/c1-4-8-13-10-6-12(3)7-11-14-9-5-2/h4-5H,1-2,6-11H2,3H3
InChIKeyCEMIMWCDNRYWQX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds10

About N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine

N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine (PubChem CID 22899058) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
PubChem CID22899058
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
SMILESC=CCOCCN(C)CCOCC=C
InChIInChI=1S/C11H21NO2/c1-4-8-13-10-6-12(3)7-11-14-9-5-2/h4-5H,1-2,6-11H2,3H3
InChIKeyCEMIMWCDNRYWQX-UHFFFAOYSA-N
XLogP1.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
The IUPAC name of N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine (CID 22899058) is N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine.
What is the SMILES notation for N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
The canonical SMILES for N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine is C=CCOCCN(C)CCOCC=C.
What is the InChIKey of N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
The InChIKey is CEMIMWCDNRYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-8-13-10-6-12(3)7-11-14-9-5-2/h4-5H,1-2,6-11H2,3H3.
What are the key properties of N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine is sourced from PubChem (CID 22899058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).