(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine

C₉H₁₇N₃ — CID 139357837

About (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine

(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine (PubChem CID 139357837) has the molecular formula C₉H₁₇N₃ and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
• PubChem CID: 139357837
• Molecular Formula: C₉H₁₇N₃
• Molecular Weight: 167.26 g/mol
• Exact Mass: 167.14
• IUPAC Name: (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
• SMILES: [H]/N=C/C(=C\N)C1CCCNC1C
• InChI: InChI=1S/C9H17N3/c1-7-9(3-2-4-12-7)8(5-10)6-11/h5-7,9-10,12H,2-4,11H2,1H3/b8-6+,10-5+
• InChIKey: OPURJXNAIDCNEE-SOYUKNQTSA-N
• XLogP: 0.87
• TPSA: 61.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.26
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?

The IUPAC name of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine (CID 139357837) is (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine.

What is the SMILES notation for (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?

The canonical SMILES for (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1CCCNC1C.

What is the InChIKey of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?

The InChIKey is OPURJXNAIDCNEE-SOYUKNQTSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-9(3-2-4-12-7)8(5-10)6-11/h5-7,9-10,12H,2-4,11H2,1H3/b8-6+,10-5+.

What are the key properties of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?

(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 139357837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139357837 — identifiers, structure, computed properties (public domain)

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