(E)-1-methoxyprop-1-en-2-amine

C4H9NO — CID 143063375

IUPAC(E)-1-methoxyprop-1-en-2-amine
SMILESCO/C=C(\C)N
InChIInChI=1S/C4H9NO/c1-4(5)3-6-2/h3H,5H2,1-2H3/b4-3+
InChIKeyXIPOHRCFWFLOIM-ONEGZZNKSA-N
MW87.12 g/mol
LogP0.45
Rot. Bonds1

About (E)-1-methoxyprop-1-en-2-amine

(E)-1-methoxyprop-1-en-2-amine (PubChem CID 143063375) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (E)-1-methoxyprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-methoxyprop-1-en-2-amine
PubChem CID143063375
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(E)-1-methoxyprop-1-en-2-amine
SMILESCO/C=C(\C)N
InChIInChI=1S/C4H9NO/c1-4(5)3-6-2/h3H,5H2,1-2H3/b4-3+
InChIKeyXIPOHRCFWFLOIM-ONEGZZNKSA-N
XLogP0.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;(Z)-1-methoxyprop-1-en-2-amine
CID 143631122
O-[(Z)-2-aminoprop-1-enyl]hydroxylamine
CID 144691333
1-methoxy-2-methylprop-1-ene
CID 551188
1-methoxy-2-methylprop-1-ene;hydrofluoride
CID 174504436
(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320
1-methoxy-2-methylbuta-1,3-diene
CID 54143259
(Z)-1-methoxy-2-methylbut-1-ene
CID 3033475
N-(1-methoxyprop-1-en-2-yl)propan-2-imine
CID 91052997
[(E)-1-methoxyprop-1-en-2-yl]cyclopropane
CID 3032918
[(E)-1-methoxyprop-1-en-2-yl] acetate
CID 15038734
ethyl 2-(methoxymethylidene)butanoate
CID 71389545
ethyl (2Z)-2-(methoxymethylidene)butanoate
CID 87267984

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyprop-1-en-2-amine?
The IUPAC name of (E)-1-methoxyprop-1-en-2-amine (CID 143063375) is (E)-1-methoxyprop-1-en-2-amine.
What is the SMILES notation for (E)-1-methoxyprop-1-en-2-amine?
The canonical SMILES for (E)-1-methoxyprop-1-en-2-amine is CO/C=C(\C)N.
What is the InChIKey of (E)-1-methoxyprop-1-en-2-amine?
The InChIKey is XIPOHRCFWFLOIM-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(5)3-6-2/h3H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-1-methoxyprop-1-en-2-amine?
(E)-1-methoxyprop-1-en-2-amine has a molecular weight of 87.12 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyprop-1-en-2-amine is sourced from PubChem (CID 143063375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).