2-methoxyethanamine;2-methylprop-2-enal

C7H15NO2 — CID 144696365

IUPAC2-methoxyethanamine;2-methylprop-2-enal
SMILESC=C(C)C=O.COCCN
InChIInChI=1S/C4H6O.C3H9NO/c1-4(2)3-5;1-5-3-2-4/h3H,1H2,2H3;2-4H2,1H3
InChIKeyKEVDXULYZALOLX-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.35
Rot. Bonds3

About 2-methoxyethanamine;2-methylprop-2-enal

2-methoxyethanamine;2-methylprop-2-enal (PubChem CID 144696365) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methoxyethanamine;2-methylprop-2-enal.

Molecular Properties

Compound Name2-methoxyethanamine;2-methylprop-2-enal
PubChem CID144696365
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-methoxyethanamine;2-methylprop-2-enal
SMILESC=C(C)C=O.COCCN
InChIInChI=1S/C4H6O.C3H9NO/c1-4(2)3-5;1-5-3-2-4/h3H,1H2,2H3;2-4H2,1H3
InChIKeyKEVDXULYZALOLX-UHFFFAOYSA-N
XLogP0.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl(113C)prop-2-enal
CID 71749931
N,N-dimethylmethanamine;2-methoxyethanamine
CID 172823612
ethanol;2-methylprop-2-enal
CID 88639201
2-methylprop-2-enal;trimethoxysilane
CID 174980241
but-2-enoic acid;2-methoxyethanamine
CID 173271509
2-(methoxymethyl)-3,3-dimethylbutan-1-ol;2-methylprop-2-enal
CID 169147946
acetaldehyde;methyl acetate;2-methylprop-2-enal
CID 174926780
2-aminoacetaldehyde;1-methoxypropane
CID 142289100
(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal
CID 176675584
amino(trimethyl)azanium;2-methoxyethanamine;chloride
CID 174652181
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
2-aminoethyl 2-(methoxymethyl)prop-2-enoate
CID 174463853

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanamine;2-methylprop-2-enal?
The IUPAC name of 2-methoxyethanamine;2-methylprop-2-enal (CID 144696365) is 2-methoxyethanamine;2-methylprop-2-enal.
What is the SMILES notation for 2-methoxyethanamine;2-methylprop-2-enal?
The canonical SMILES for 2-methoxyethanamine;2-methylprop-2-enal is C=C(C)C=O.COCCN.
What is the InChIKey of 2-methoxyethanamine;2-methylprop-2-enal?
The InChIKey is KEVDXULYZALOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C3H9NO/c1-4(2)3-5;1-5-3-2-4/h3H,1H2,2H3;2-4H2,1H3.
What are the key properties of 2-methoxyethanamine;2-methylprop-2-enal?
2-methoxyethanamine;2-methylprop-2-enal has a molecular weight of 145.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanamine;2-methylprop-2-enal is sourced from PubChem (CID 144696365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).