N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine

C₁₈H₃₄N₄ — CID 156711990

About N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine

N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 156711990) has the molecular formula C₁₈H₃₄N₄ and a molecular weight of 306.50 g/mol. Its IUPAC name is N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

• Compound Name: N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine
• PubChem CID: 156711990
• Molecular Formula: C₁₈H₃₄N₄
• Molecular Weight: 306.50 g/mol
• Exact Mass: 306.28
• IUPAC Name: N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine
• SMILES: C/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC
• InChI: InChI=1S/C18H34N4/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4/h8-9,14-15,17,19H,7,10-13H2,1-6H3/b16-8+,18-9+,20-14-
• InChIKey: ZUDCQCHWJZEDRP-ZUHOJVJOSA-N
• XLogP: 3.24
• TPSA: 30.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.50
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?

The IUPAC name of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine (CID 156711990) is N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine.

What is the SMILES notation for N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?

The canonical SMILES for N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine is C/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC.

What is the InChIKey of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?

The InChIKey is ZUDCQCHWJZEDRP-ZUHOJVJOSA-N. The full InChI is InChI=1S/C18H34N4/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4/h8-9,14-15,17,19H,7,10-13H2,1-6H3/b16-8+,18-9+,20-14-.

What are the key properties of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?

N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 306.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 156711990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156711990 — identifiers, structure, computed properties (public domain)

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