N-methoxy-N-methyl-2-prop-2-enoxyethanamine

C7H15NO2 — CID 131107830

IUPACN-methoxy-N-methyl-2-prop-2-enoxyethanamine
SMILESC=CCOCCN(C)OC
InChIInChI=1S/C7H15NO2/c1-4-6-10-7-5-8(2)9-3/h4H,1,5-7H2,2-3H3
InChIKeyPDCYUYQLOCPFCX-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds6

About N-methoxy-N-methyl-2-prop-2-enoxyethanamine

N-methoxy-N-methyl-2-prop-2-enoxyethanamine (PubChem CID 131107830) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-prop-2-enoxyethanamine.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-prop-2-enoxyethanamine
PubChem CID131107830
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-methoxy-N-methyl-2-prop-2-enoxyethanamine
SMILESC=CCOCCN(C)OC
InChIInChI=1S/C7H15NO2/c1-4-6-10-7-5-8(2)9-3/h4H,1,5-7H2,2-3H3
InChIKeyPDCYUYQLOCPFCX-UHFFFAOYSA-N
XLogP0.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
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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Related Compounds

n,n-Dimethyl-2-(prop-2-en-1-yloxy)ethanamine
CID 261277
N-(2-Ethoxyethyl)-N-hydroxyprop-2-en-1-amine
CID 14670486
N-methyl-N,2-bis(prop-2-enoxy)ethanamine
CID 170444162
Methyl(2-prop-2-enoxyethyl)azanide
CID 155624696
N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine
CID 163627927

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-prop-2-enoxyethanamine?
The IUPAC name of N-methoxy-N-methyl-2-prop-2-enoxyethanamine (CID 131107830) is N-methoxy-N-methyl-2-prop-2-enoxyethanamine.
What is the SMILES notation for N-methoxy-N-methyl-2-prop-2-enoxyethanamine?
The canonical SMILES for N-methoxy-N-methyl-2-prop-2-enoxyethanamine is C=CCOCCN(C)OC.
What is the InChIKey of N-methoxy-N-methyl-2-prop-2-enoxyethanamine?
The InChIKey is PDCYUYQLOCPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-6-10-7-5-8(2)9-3/h4H,1,5-7H2,2-3H3.
What are the key properties of N-methoxy-N-methyl-2-prop-2-enoxyethanamine?
N-methoxy-N-methyl-2-prop-2-enoxyethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-prop-2-enoxyethanamine is sourced from PubChem (CID 131107830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).