N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine

C24H38FN5 — CID 142990804

About N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine

N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 142990804) has the molecular formula C24H38FN5 and a molecular weight of 415.60 g/mol. Its IUPAC name is N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine
• PubChem CID: 142990804
• Molecular Formula: C24H38FN5
• Molecular Weight: 415.60 g/mol
• Exact Mass: 415.31
• IUPAC Name: N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine
• SMILES: C=N/C(=C\C/C(=N\CN1CCCCC1C)c1ccc(F)cc1)N(CC)CCN(C)C
• InChI: InChI=1S/C24H38FN5/c1-6-29(18-17-28(4)5)24(26-3)15-14-23(21-10-12-22(25)13-11-21)27-19-30-16-8-7-9-20(30)2/h10-13,15,20H,3,6-9,14,16-19H2,1-2,4-5H3/b24-15+,27-23+
• InChIKey: HUIWGIXUEPULGB-AATFJMSOSA-N
• XLogP: 4.26
• TPSA: 34.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.60
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine?

The IUPAC name of N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine (CID 142990804) is N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine.

What is the SMILES notation for N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine?

The canonical SMILES for N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine is C=N/C(=C\C/C(=N\CN1CCCCC1C)c1ccc(F)cc1)N(CC)CCN(C)C.

What is the InChIKey of N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine?

The InChIKey is HUIWGIXUEPULGB-AATFJMSOSA-N. The full InChI is InChI=1S/C24H38FN5/c1-6-29(18-17-28(4)5)24(26-3)15-14-23(21-10-12-22(25)13-11-21)27-19-30-16-8-7-9-20(30)2/h10-13,15,20H,3,6-9,14,16-19H2,1-2,4-5H3/b24-15+,27-23+.

What are the key properties of N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine?

N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 415.60 g/mol, XLogP of 4.26, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-ethyl-N'-[(Z,4E)-4-(4-fluorophenyl)-1-(methylideneamino)-4-[(2-methylpiperidin-1-yl)methylimino]but-1-enyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 142990804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).