N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine

C12H25NO2 — CID 58451785

IUPACN-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine
SMILESC=CCOCCN(C)CCOCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-8-14-9-6-13(4)7-10-15-11-12(2)3/h5,12H,1,6-11H2,2-4H3
InChIKeyMSPVMRYMLWCPNM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.79
Rot. Bonds10

About N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine

N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine (PubChem CID 58451785) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine
PubChem CID58451785
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine
SMILESC=CCOCCN(C)CCOCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-8-14-9-6-13(4)7-10-15-11-12(2)3/h5,12H,1,6-11H2,2-4H3
InChIKeyMSPVMRYMLWCPNM-UHFFFAOYSA-N
XLogP1.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.79
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-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine?
The IUPAC name of N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine (CID 58451785) is N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine.
What is the SMILES notation for N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine?
The canonical SMILES for N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine is C=CCOCCN(C)CCOCC(C)C.
What is the InChIKey of N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine?
The InChIKey is MSPVMRYMLWCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-8-14-9-6-13(4)7-10-15-11-12(2)3/h5,12H,1,6-11H2,2-4H3.
What are the key properties of N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine?
N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine is sourced from PubChem (CID 58451785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).