N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide

C₆H₁₂N₂O — CID 163422703

About N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide

N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 163422703) has the molecular formula C₆H₁₂N₂O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

• Compound Name: N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
• PubChem CID: 163422703
• Molecular Formula: C₆H₁₂N₂O
• Molecular Weight: 128.17 g/mol
• Exact Mass: 128.09
• IUPAC Name: N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
• SMILES: C=C(C)/N=C/N(C)OC
• InChI: InChI=1S/C6H12N2O/c1-6(2)7-5-8(3)9-4/h5H,1H2,2-4H3/b7-5+
• InChIKey: AJUPZUMNUAYABI-FNORWQNLSA-N
• XLogP: 1.04
• TPSA: 24.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	128.17
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?

The IUPAC name of N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide (CID 163422703) is N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide.

What is the SMILES notation for N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?

The canonical SMILES for N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N(C)OC.

What is the InChIKey of N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?

The InChIKey is AJUPZUMNUAYABI-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2)7-5-8(3)9-4/h5H,1H2,2-4H3/b7-5+.

What are the key properties of N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?

N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 128.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 163422703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163422703 — identifiers, structure, computed properties (public domain)

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