N-methyl-N,2-bis(prop-2-enoxy)ethanamine

C9H17NO2 — CID 170444162

IUPACN-methyl-N,2-bis(prop-2-enoxy)ethanamine
SMILESC=CCOCCN(C)OCC=C
InChIInChI=1S/C9H17NO2/c1-4-7-11-9-6-10(3)12-8-5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyBUEFCOUBXXXWFN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds8

About N-methyl-N,2-bis(prop-2-enoxy)ethanamine

N-methyl-N,2-bis(prop-2-enoxy)ethanamine (PubChem CID 170444162) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methyl-N,2-bis(prop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-N,2-bis(prop-2-enoxy)ethanamine
PubChem CID170444162
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methyl-N,2-bis(prop-2-enoxy)ethanamine
SMILESC=CCOCCN(C)OCC=C
InChIInChI=1S/C9H17NO2/c1-4-7-11-9-6-10(3)12-8-5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyBUEFCOUBXXXWFN-UHFFFAOYSA-N
XLogP1.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,2-bis(prop-2-enoxy)ethanamine?
The IUPAC name of N-methyl-N,2-bis(prop-2-enoxy)ethanamine (CID 170444162) is N-methyl-N,2-bis(prop-2-enoxy)ethanamine.
What is the SMILES notation for N-methyl-N,2-bis(prop-2-enoxy)ethanamine?
The canonical SMILES for N-methyl-N,2-bis(prop-2-enoxy)ethanamine is C=CCOCCN(C)OCC=C.
What is the InChIKey of N-methyl-N,2-bis(prop-2-enoxy)ethanamine?
The InChIKey is BUEFCOUBXXXWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-11-9-6-10(3)12-8-5-2/h4-5H,1-2,6-9H2,3H3.
What are the key properties of N-methyl-N,2-bis(prop-2-enoxy)ethanamine?
N-methyl-N,2-bis(prop-2-enoxy)ethanamine has a molecular weight of 171.24 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,2-bis(prop-2-enoxy)ethanamine is sourced from PubChem (CID 170444162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).