(Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride

C60H122Cl4N8O4 — CID 159629296

About (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride

(Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride (PubChem CID 159629296) has the molecular formula C60H122Cl4N8O4 and a molecular weight of 1161.50 g/mol. Its IUPAC name is (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride.

Molecular Properties

• Compound Name: (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride
• PubChem CID: 159629296
• Molecular Formula: C60H122Cl4N8O4
• Molecular Weight: 1161.50 g/mol
• Exact Mass: 1158.83
• IUPAC Name: (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride
• SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)NC.CCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)NCCCN1CCN(CCCC)CC1.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C35H69N5O2.C25H49N3O2.4ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34(41)38-33(23-20-21-25-36)35(42)37-26-22-28-40-31-29-39(30-32-40)27-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(29)28-23(25(30)27-2)20-18-19-22-26;;;;/h12-13,33H,3-11,14-32,36H2,1-2H3,(H,37,42)(H,38,41);10-11,23H,3-9,12-22,26H2,1-2H3,(H,27,30)(H,28,29);4*1H/b13-12-;11-10-
• InChIKey: YQSNSMZQESSANN-JKEXNATQSA-N
• XLogP: 13.63
• TPSA: 174.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 49
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.50
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride?

The IUPAC name of (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride (CID 159629296) is (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride.

What is the SMILES notation for (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride?

The canonical SMILES for (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride is CCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)NC.CCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)NCCCN1CCN(CCCC)CC1.Cl.Cl.Cl.Cl.

What is the InChIKey of (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride?

The InChIKey is YQSNSMZQESSANN-JKEXNATQSA-N. The full InChI is InChI=1S/C35H69N5O2.C25H49N3O2.4ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34(41)38-33(23-20-21-25-36)35(42)37-26-22-28-40-31-29-39(30-32-40)27-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(29)28-23(25(30)27-2)20-18-19-22-26;;;;/h12-13,33H,3-11,14-32,36H2,1-2H3,(H,37,42)(H,38,41);10-11,23H,3-9,12-22,26H2,1-2H3,(H,27,30)(H,28,29);4*1H/b13-12-;11-10-;;;;.

What are the key properties of (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride?

(Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride has a molecular weight of 1161.50 g/mol, XLogP of 13.63, 49 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[6-amino-1-[3-(4-butylpiperazin-1-yl)propylamino]-1-oxohexan-2-yl]octadec-9-enamide;(Z)-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]octadec-9-enamide;tetrahydrochloride is sourced from PubChem (CID 159629296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).