1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride

C44H78Cl2N4O2 — CID 161037071

IUPAC1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride
SMILESC=CCN(CC=C)C(=O)C(CCCCCCC)C(=O)N(CC=C)CC=C.C=CC[NH+](CC=C)C(CCCCCCCCC)[NH+](CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C22H36N2O2.C22H40N2.2ClH/c1-6-11-12-13-14-15-20(21(25)23(16-7-2)17-8-3)22(26)24(18-9-4)19-10-5;1-6-11-12-13-14-15-16-17-22(23(18-7-2)19-8-3)24(20-9-4)21-10-5;;/h7-10,20H,2-6,11-19H2,1H3;7-10,22H,2-6,11-21H2,1H3;2*1H
InChIKeyPRZLUQJYIUBYSZ-UHFFFAOYSA-N
MW766.04 g/mol
LogP1.34
Rot. Bonds34

About 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride

1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride (PubChem CID 161037071) has the molecular formula C44H78Cl2N4O2 and a molecular weight of 766.04 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride
PubChem CID161037071
Molecular FormulaC44H78Cl2N4O2
Molecular Weight766.04 g/mol
Exact Mass764.55
IUPAC Name1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride
SMILESC=CCN(CC=C)C(=O)C(CCCCCCC)C(=O)N(CC=C)CC=C.C=CC[NH+](CC=C)C(CCCCCCCCC)[NH+](CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C22H36N2O2.C22H40N2.2ClH/c1-6-11-12-13-14-15-20(21(25)23(16-7-2)17-8-3)22(26)24(18-9-4)19-10-5;1-6-11-12-13-14-15-16-17-22(23(18-7-2)19-8-3)24(20-9-4)21-10-5;;/h7-10,20H,2-6,11-19H2,1H3;7-10,22H,2-6,11-21H2,1H3;2*1H
InChIKeyPRZLUQJYIUBYSZ-UHFFFAOYSA-N
XLogP1.34
TPSA49.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.04
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride with MolForge

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Related Compounds

2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium
CID 21354910
bis(prop-2-enyl) 2-heptylpropanedioate
CID 21304231
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride
CID 88846025
2-but-3-enoylhexadecanoic acid
CID 175195311
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
dodecane-1,1-diol;tris(prop-2-enoic acid)
CID 157166263
N-icosan-2-yl-N-prop-2-enylicosan-2-amine;hydrochloride
CID 175193055
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride?
The IUPAC name of 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride (CID 161037071) is 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride.
What is the SMILES notation for 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride?
The canonical SMILES for 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride is C=CCN(CC=C)C(=O)C(CCCCCCC)C(=O)N(CC=C)CC=C.C=CC[NH+](CC=C)C(CCCCCCCCC)[NH+](CC=C)CC=C.[Cl-].[Cl-].
What is the InChIKey of 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride?
The InChIKey is PRZLUQJYIUBYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2.C22H40N2.2ClH/c1-6-11-12-13-14-15-20(21(25)23(16-7-2)17-8-3)22(26)24(18-9-4)19-10-5;1-6-11-12-13-14-15-16-17-22(23(18-7-2)19-8-3)24(20-9-4)21-10-5;;/h7-10,20H,2-6,11-19H2,1H3;7-10,22H,2-6,11-21H2,1H3;2*1H.
What are the key properties of 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride?
1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride has a molecular weight of 766.04 g/mol, XLogP of 1.34, 34 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride is sourced from PubChem (CID 161037071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).