hydron;tetrakis(prop-2-enyl)azanium

C12H21N+2 — CID 87913836

IUPAChydron;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[H+]
InChIInChI=1S/C12H20N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H,1-4,9-12H2/q+1/p+1
InChIKeySAJMIAZRBZSBQM-UHFFFAOYSA-O
MW179.31 g/mol
LogP2.66
Rot. Bonds8

About hydron;tetrakis(prop-2-enyl)azanium

hydron;tetrakis(prop-2-enyl)azanium (PubChem CID 87913836) has the molecular formula C12H21N+2 and a molecular weight of 179.31 g/mol. Its IUPAC name is hydron;tetrakis(prop-2-enyl)azanium.

Molecular Properties

Compound Namehydron;tetrakis(prop-2-enyl)azanium
PubChem CID87913836
Molecular FormulaC12H21N+2
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Namehydron;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[H+]
InChIInChI=1S/C12H20N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H,1-4,9-12H2/q+1/p+1
InChIKeySAJMIAZRBZSBQM-UHFFFAOYSA-O
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.66
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

hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
germanium(4+);bis(oxygen(2-));tetrakis(prop-2-enyl)azanium;hydroxide
CID 173450774
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
CID 175142733
tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)
CID 173137331
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium
CID 174712205
N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
CID 174867425

Frequently Asked Questions

What is the IUPAC name of hydron;tetrakis(prop-2-enyl)azanium?
The IUPAC name of hydron;tetrakis(prop-2-enyl)azanium (CID 87913836) is hydron;tetrakis(prop-2-enyl)azanium.
What is the SMILES notation for hydron;tetrakis(prop-2-enyl)azanium?
The canonical SMILES for hydron;tetrakis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC=C.[H+].
What is the InChIKey of hydron;tetrakis(prop-2-enyl)azanium?
The InChIKey is SAJMIAZRBZSBQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H,1-4,9-12H2/q+1/p+1.
What are the key properties of hydron;tetrakis(prop-2-enyl)azanium?
hydron;tetrakis(prop-2-enyl)azanium has a molecular weight of 179.31 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetrakis(prop-2-enyl)azanium is sourced from PubChem (CID 87913836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).