dodecyl-dimethyl-prop-2-enylazanium bromide

C17H36BrN — CID 10520722

IUPACdodecyl-dimethyl-prop-2-enylazanium bromide
SMILESC=CC[N+](C)(C)CCCCCCCCCCCC.[Br-]
InChIInChI=1S/C17H36N.BrH/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h6H,2,5,7-17H2,1,3-4H3;1H/q+1;/p-1
InChIKeyUTPOUIWLUACLGC-UHFFFAOYSA-M
MW334.39 g/mol
LogP2.17
Rot. Bonds13

About dodecyl-dimethyl-prop-2-enylazanium bromide

dodecyl-dimethyl-prop-2-enylazanium bromide (PubChem CID 10520722) has the molecular formula C17H36BrN and a molecular weight of 334.39 g/mol. Its IUPAC name is dodecyl-dimethyl-prop-2-enylazanium bromide.

Molecular Properties

Compound Namedodecyl-dimethyl-prop-2-enylazanium bromide
PubChem CID10520722
Molecular FormulaC17H36BrN
Molecular Weight334.39 g/mol
Exact Mass333.20
IUPAC Namedodecyl-dimethyl-prop-2-enylazanium bromide
SMILESC=CC[N+](C)(C)CCCCCCCCCCCC.[Br-]
InChIInChI=1S/C17H36N.BrH/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h6H,2,5,7-17H2,1,3-4H3;1H/q+1;/p-1
InChIKeyUTPOUIWLUACLGC-UHFFFAOYSA-M
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-prop-2-enylazanium bromide?
The IUPAC name of dodecyl-dimethyl-prop-2-enylazanium bromide (CID 10520722) is dodecyl-dimethyl-prop-2-enylazanium bromide.
What is the SMILES notation for dodecyl-dimethyl-prop-2-enylazanium bromide?
The canonical SMILES for dodecyl-dimethyl-prop-2-enylazanium bromide is C=CC[N+](C)(C)CCCCCCCCCCCC.[Br-].
What is the InChIKey of dodecyl-dimethyl-prop-2-enylazanium bromide?
The InChIKey is UTPOUIWLUACLGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H36N.BrH/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h6H,2,5,7-17H2,1,3-4H3;1H/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-prop-2-enylazanium bromide?
dodecyl-dimethyl-prop-2-enylazanium bromide has a molecular weight of 334.39 g/mol, XLogP of 2.17, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-prop-2-enylazanium bromide is sourced from PubChem (CID 10520722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).