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

C4H9NO — CID 57013384

IUPAC(E)-N-methoxyprop-1-en-1-amine
SMILESC/C=C/NOC
InChIInChI=1S/C4H9NO/c1-3-4-5-6-2/h3-5H,1-2H3/b4-3+
InChIKeyQRCCTCUXWGSYJA-ONEGZZNKSA-N
MW87.12 g/mol
LogP0.67
Rot. Bonds2

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

(E)-N-methoxyprop-1-en-1-amine (PubChem CID 57013384) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (E)-N-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methoxyprop-1-en-1-amine
PubChem CID57013384
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(E)-N-methoxyprop-1-en-1-amine
SMILESC/C=C/NOC
InChIInChI=1S/C4H9NO/c1-3-4-5-6-2/h3-5H,1-2H3/b4-3+
InChIKeyQRCCTCUXWGSYJA-ONEGZZNKSA-N
XLogP0.67
TPSA21.26 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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxyprop-1-en-1-amine?
The IUPAC name of (E)-N-methoxyprop-1-en-1-amine (CID 57013384) is (E)-N-methoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-N-methoxyprop-1-en-1-amine?
The canonical SMILES for (E)-N-methoxyprop-1-en-1-amine is C/C=C/NOC.
What is the InChIKey of (E)-N-methoxyprop-1-en-1-amine?
The InChIKey is QRCCTCUXWGSYJA-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-4-5-6-2/h3-5H,1-2H3/b4-3+.
What are the key properties of (E)-N-methoxyprop-1-en-1-amine?
(E)-N-methoxyprop-1-en-1-amine has a molecular weight of 87.12 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxyprop-1-en-1-amine is sourced from PubChem (CID 57013384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).