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

C9H20N2O — CID 143815677

IUPAC(E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine
SMILESCC/C=C(\C)N.CO/C=C(\C)N
InChIInChI=1S/C5H11N.C4H9NO/c1-3-4-5(2)6;1-4(5)3-6-2/h4H,3,6H2,1-2H3;3H,5H2,1-2H3/b5-4+;4-3+
InChIKeyVQSDATMYLZPXMA-FKGCTPSKSA-N
MW172.27 g/mol
LogP1.71
Rot. Bonds2

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

(E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine (PubChem CID 143815677) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine
PubChem CID143815677
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine
SMILESCC/C=C(\C)N.CO/C=C(\C)N
InChIInChI=1S/C5H11N.C4H9NO/c1-3-4-5(2)6;1-4(5)3-6-2/h4H,3,6H2,1-2H3;3H,5H2,1-2H3/b5-4+;4-3+
InChIKeyVQSDATMYLZPXMA-FKGCTPSKSA-N
XLogP1.71
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine?
The IUPAC name of (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine (CID 143815677) is (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine.
What is the SMILES notation for (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine?
The canonical SMILES for (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine is CC/C=C(\C)N.CO/C=C(\C)N.
What is the InChIKey of (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine?
The InChIKey is VQSDATMYLZPXMA-FKGCTPSKSA-N. The full InChI is InChI=1S/C5H11N.C4H9NO/c1-3-4-5(2)6;1-4(5)3-6-2/h4H,3,6H2,1-2H3;3H,5H2,1-2H3/b5-4+;4-3+.
What are the key properties of (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine?
(E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine has a molecular weight of 172.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine is sourced from PubChem (CID 143815677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).