decyl-dimethyl-prop-2-ynylazanium bromide

C15H30BrN — CID 12005717

IUPACdecyl-dimethyl-prop-2-ynylazanium bromide
SMILESC#CC[N+](C)(C)CCCCCCCCCC.[Br-]
InChIInChI=1S/C15H30N.BrH/c1-5-7-8-9-10-11-12-13-15-16(3,4)14-6-2;/h2H,5,7-15H2,1,3-4H3;1H/q+1;/p-1
InChIKeyUSGLXRJWKUSSRG-UHFFFAOYSA-M
MW304.32 g/mol
LogP0.84
Rot. Bonds10

About decyl-dimethyl-prop-2-ynylazanium bromide

decyl-dimethyl-prop-2-ynylazanium bromide (PubChem CID 12005717) has the molecular formula C15H30BrN and a molecular weight of 304.32 g/mol. Its IUPAC name is decyl-dimethyl-prop-2-ynylazanium bromide.

Molecular Properties

Compound Namedecyl-dimethyl-prop-2-ynylazanium bromide
PubChem CID12005717
Molecular FormulaC15H30BrN
Molecular Weight304.32 g/mol
Exact Mass303.16
IUPAC Namedecyl-dimethyl-prop-2-ynylazanium bromide
SMILESC#CC[N+](C)(C)CCCCCCCCCC.[Br-]
InChIInChI=1S/C15H30N.BrH/c1-5-7-8-9-10-11-12-13-15-16(3,4)14-6-2;/h2H,5,7-15H2,1,3-4H3;1H/q+1;/p-1
InChIKeyUSGLXRJWKUSSRG-UHFFFAOYSA-M
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-prop-2-ynylazanium bromide?
The IUPAC name of decyl-dimethyl-prop-2-ynylazanium bromide (CID 12005717) is decyl-dimethyl-prop-2-ynylazanium bromide.
What is the SMILES notation for decyl-dimethyl-prop-2-ynylazanium bromide?
The canonical SMILES for decyl-dimethyl-prop-2-ynylazanium bromide is C#CC[N+](C)(C)CCCCCCCCCC.[Br-].
What is the InChIKey of decyl-dimethyl-prop-2-ynylazanium bromide?
The InChIKey is USGLXRJWKUSSRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30N.BrH/c1-5-7-8-9-10-11-12-13-15-16(3,4)14-6-2;/h2H,5,7-15H2,1,3-4H3;1H/q+1;/p-1.
What are the key properties of decyl-dimethyl-prop-2-ynylazanium bromide?
decyl-dimethyl-prop-2-ynylazanium bromide has a molecular weight of 304.32 g/mol, XLogP of 0.84, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-prop-2-ynylazanium bromide is sourced from PubChem (CID 12005717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).