2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium

C20H34N2O2+2 — CID 21354910

IUPAC2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)C(=O)C(CCCCC)C(=O)[NH+](CC=C)CC=C
InChIInChI=1S/C20H32N2O2/c1-6-11-12-13-18(19(23)21(14-7-2)15-8-3)20(24)22(16-9-4)17-10-5/h7-10,18H,2-6,11-17H2,1H3/p+2
InChIKeyWPXCZMRKNDRHAJ-UHFFFAOYSA-P
MW334.50 g/mol
LogP0.75
Rot. Bonds14

About 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium

2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium (PubChem CID 21354910) has the molecular formula C20H34N2O2+2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium
PubChem CID21354910
Molecular FormulaC20H34N2O2+2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)C(=O)C(CCCCC)C(=O)[NH+](CC=C)CC=C
InChIInChI=1S/C20H32N2O2/c1-6-11-12-13-18(19(23)21(14-7-2)15-8-3)20(24)22(16-9-4)17-10-5/h7-10,18H,2-6,11-17H2,1H3/p+2
InChIKeyWPXCZMRKNDRHAJ-UHFFFAOYSA-P
XLogP0.75
TPSA43.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 50.75
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carboxy-pentyl-prop-2-enylazanium
CID 173409911
bis(prop-2-enyl) 2-heptylpropanedioate
CID 21304231
2-but-3-enoylhexadecanoic acid
CID 175195311
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
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
iron(3+);tris(3-pentylpentane-2,4-dione)
CID 159636722
oct-1-en-3-ol;propanoic acid
CID 57351786
dibutyl 2-hex-5-enylpropanedioate
CID 141391889
7-amino-2-prop-2-enoyldodecanoic acid
CID 175183655
ethenyl 2-acetyloctadecanoate
CID 140533997

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium?
The IUPAC name of 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium (CID 21354910) is 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)C(=O)C(CCCCC)C(=O)[NH+](CC=C)CC=C.
What is the InChIKey of 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium?
The InChIKey is WPXCZMRKNDRHAJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H32N2O2/c1-6-11-12-13-18(19(23)21(14-7-2)15-8-3)20(24)22(16-9-4)17-10-5/h7-10,18H,2-6,11-17H2,1H3/p+2.
What are the key properties of 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium?
2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium has a molecular weight of 334.50 g/mol, XLogP of 0.75, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)azaniumyl]carbonylheptanoyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 21354910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).