ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium

C16H32N2+2 — CID 123622999

IUPACethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium
SMILESC=CC[N+](C)(CC)CCC[N+](C)(CC=C)CC=C
InChIInChI=1S/C16H32N2/c1-7-12-17(5,10-4)15-11-16-18(6,13-8-2)14-9-3/h7-9H,1-3,10-16H2,4-6H3/q+2
InChIKeyOZZXXSSTTZBOOL-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.85
Rot. Bonds11

About ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium

ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium (PubChem CID 123622999) has the molecular formula C16H32N2+2 and a molecular weight of 252.45 g/mol. Its IUPAC name is ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium.

Molecular Properties

Compound Nameethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium
PubChem CID123622999
Molecular FormulaC16H32N2+2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Nameethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium
SMILESC=CC[N+](C)(CC)CCC[N+](C)(CC=C)CC=C
InChIInChI=1S/C16H32N2/c1-7-12-17(5,10-4)15-11-16-18(6,13-8-2)14-9-3/h7-9H,1-3,10-16H2,4-6H3/q+2
InChIKeyOZZXXSSTTZBOOL-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide
CID 174242463
hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901
methyl-tris(prop-2-enyl)azanium iodide
CID 14172654
3-carboxypropyl-methyl-bis(prop-2-enyl)azanium
CID 87275045
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
ethyl-methyl-bis(prop-2-enyl)azanium;methyl sulfate
CID 89482961
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
bis[2-[dimethyl(tetradecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium
CID 118721052
ethyl-methyl-bis(prop-2-enyl)azanium;ethyl sulfate;sulfane
CID 175702679
(11-chloro-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-methyl-bis(prop-2-enyl)azanium
CID 11693332
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
4-aminobutyl-(3-hydroxypropyl)-methyl-prop-2-enylazanium chloride
CID 174989069

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium?
The IUPAC name of ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium (CID 123622999) is ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium.
What is the SMILES notation for ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium?
The canonical SMILES for ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium is C=CC[N+](C)(CC)CCC[N+](C)(CC=C)CC=C.
What is the InChIKey of ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium?
The InChIKey is OZZXXSSTTZBOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-12-17(5,10-4)15-11-16-18(6,13-8-2)14-9-3/h7-9H,1-3,10-16H2,4-6H3/q+2.
What are the key properties of ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium?
ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium has a molecular weight of 252.45 g/mol, XLogP of 2.85, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium is sourced from PubChem (CID 123622999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).