tetrakis(prop-2-enyl)azanium;hydrochloride

C12H21ClN+ — CID 88620004

IUPACtetrakis(prop-2-enyl)azanium;hydrochloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.Cl
InChIInChI=1S/C12H20N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;
InChIKeyHKIXKEXVXNUDOX-UHFFFAOYSA-N
MW214.76 g/mol
LogP2.97
Rot. Bonds8

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

tetrakis(prop-2-enyl)azanium;hydrochloride (PubChem CID 88620004) has the molecular formula C12H21ClN+ and a molecular weight of 214.76 g/mol. Its IUPAC name is tetrakis(prop-2-enyl)azanium;hydrochloride.

Molecular Properties

Compound Nametetrakis(prop-2-enyl)azanium;hydrochloride
PubChem CID88620004
Molecular FormulaC12H21ClN+
Molecular Weight214.76 g/mol
Exact Mass214.14
IUPAC Nametetrakis(prop-2-enyl)azanium;hydrochloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.Cl
InChIInChI=1S/C12H20N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;
InChIKeyHKIXKEXVXNUDOX-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of tetrakis(prop-2-enyl)azanium;hydrochloride?
The IUPAC name of tetrakis(prop-2-enyl)azanium;hydrochloride (CID 88620004) is tetrakis(prop-2-enyl)azanium;hydrochloride.
What is the SMILES notation for tetrakis(prop-2-enyl)azanium;hydrochloride?
The canonical SMILES for tetrakis(prop-2-enyl)azanium;hydrochloride is C=CC[N+](CC=C)(CC=C)CC=C.Cl.
What is the InChIKey of tetrakis(prop-2-enyl)azanium;hydrochloride?
The InChIKey is HKIXKEXVXNUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;.
What are the key properties of tetrakis(prop-2-enyl)azanium;hydrochloride?
tetrakis(prop-2-enyl)azanium;hydrochloride has a molecular weight of 214.76 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-enyl)azanium;hydrochloride is sourced from PubChem (CID 88620004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).