3-methoxyprop-1-en-2-amine

C4H9NO — CID 58166166

IUPAC3-methoxyprop-1-en-2-amine
SMILESC=C(N)COC
InChIInChI=1S/C4H9NO/c1-4(5)3-6-2/h1,3,5H2,2H3
InChIKeyRABSBWYHMRLTPZ-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.11
Rot. Bonds2

About 3-methoxyprop-1-en-2-amine

3-methoxyprop-1-en-2-amine (PubChem CID 58166166) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 3-methoxyprop-1-en-2-amine.

Molecular Properties

Compound Name3-methoxyprop-1-en-2-amine
PubChem CID58166166
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name3-methoxyprop-1-en-2-amine
SMILESC=C(N)COC
InChIInChI=1S/C4H9NO/c1-4(5)3-6-2/h1,3,5H2,2H3
InChIKeyRABSBWYHMRLTPZ-UHFFFAOYSA-N
XLogP0.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyprop-1-en-2-amine?
The IUPAC name of 3-methoxyprop-1-en-2-amine (CID 58166166) is 3-methoxyprop-1-en-2-amine.
What is the SMILES notation for 3-methoxyprop-1-en-2-amine?
The canonical SMILES for 3-methoxyprop-1-en-2-amine is C=C(N)COC.
What is the InChIKey of 3-methoxyprop-1-en-2-amine?
The InChIKey is RABSBWYHMRLTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(5)3-6-2/h1,3,5H2,2H3.
What are the key properties of 3-methoxyprop-1-en-2-amine?
3-methoxyprop-1-en-2-amine has a molecular weight of 87.12 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-1-en-2-amine is sourced from PubChem (CID 58166166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).