azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride

C15H36Cl2N2 — CID 174658869

IUPACazane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
SMILESC=CC[N+](C)(C)CCCCCCCCCC.Cl.N.[Cl-]
InChIInChI=1S/C15H32N.2ClH.H3N/c1-5-7-8-9-10-11-12-13-15-16(3,4)14-6-2;;;/h6H,2,5,7-15H2,1,3-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyKIBYMGQYZKHGPV-UHFFFAOYSA-M
MW315.37 g/mol
LogP1.98
Rot. Bonds11

About azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride

azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride (PubChem CID 174658869) has the molecular formula C15H36Cl2N2 and a molecular weight of 315.37 g/mol. Its IUPAC name is azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
PubChem CID174658869
Molecular FormulaC15H36Cl2N2
Molecular Weight315.37 g/mol
Exact Mass314.23
IUPAC Nameazane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
SMILESC=CC[N+](C)(C)CCCCCCCCCC.Cl.N.[Cl-]
InChIInChI=1S/C15H32N.2ClH.H3N/c1-5-7-8-9-10-11-12-13-15-16(3,4)14-6-2;;;/h6H,2,5,7-15H2,1,3-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyKIBYMGQYZKHGPV-UHFFFAOYSA-M
XLogP1.98
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexyl-dimethyl-prop-2-enylazanium
CID 123825197
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hexadecyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 175005609
bis[2-[dimethyl(tetradecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium
CID 118721052
azane;butyl-decyl-dimethylazanium;chloride;hydrochloride
CID 173206612
hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901
di(nonadecyl)-bis(prop-2-enyl)azanium chloride
CID 168918662
CID 175702664
CID 175702664
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
hexyl-icosyl-dimethylazanium chloride
CID 141083999
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415

Frequently Asked Questions

What is the IUPAC name of azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride?
The IUPAC name of azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride (CID 174658869) is azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride.
What is the SMILES notation for azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride?
The canonical SMILES for azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride is C=CC[N+](C)(C)CCCCCCCCCC.Cl.N.[Cl-].
What is the InChIKey of azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride?
The InChIKey is KIBYMGQYZKHGPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32N.2ClH.H3N/c1-5-7-8-9-10-11-12-13-15-16(3,4)14-6-2;;;/h6H,2,5,7-15H2,1,3-4H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride?
azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride has a molecular weight of 315.37 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride is sourced from PubChem (CID 174658869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).