2-hydroxypropyl-dimethyl-pentylazanium bromide

C10H24BrNO — CID 10848518

IUPAC2-hydroxypropyl-dimethyl-pentylazanium bromide
SMILESCCCCC[N+](C)(C)CC(C)O.[Br-]
InChIInChI=1S/C10H24NO.BrH/c1-5-6-7-8-11(3,4)9-10(2)12;/h10,12H,5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyMISHKDIWONXTBP-UHFFFAOYSA-M
MW254.21 g/mol
LogP-1.36
Rot. Bonds6

About 2-hydroxypropyl-dimethyl-pentylazanium bromide

2-hydroxypropyl-dimethyl-pentylazanium bromide (PubChem CID 10848518) has the molecular formula C10H24BrNO and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-hydroxypropyl-dimethyl-pentylazanium bromide.

Molecular Properties

Compound Name2-hydroxypropyl-dimethyl-pentylazanium bromide
PubChem CID10848518
Molecular FormulaC10H24BrNO
Molecular Weight254.21 g/mol
Exact Mass253.10
IUPAC Name2-hydroxypropyl-dimethyl-pentylazanium bromide
SMILESCCCCC[N+](C)(C)CC(C)O.[Br-]
InChIInChI=1S/C10H24NO.BrH/c1-5-6-7-8-11(3,4)9-10(2)12;/h10,12H,5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyMISHKDIWONXTBP-UHFFFAOYSA-M
XLogP-1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl-dimethyl-pentylazanium bromide?
The IUPAC name of 2-hydroxypropyl-dimethyl-pentylazanium bromide (CID 10848518) is 2-hydroxypropyl-dimethyl-pentylazanium bromide.
What is the SMILES notation for 2-hydroxypropyl-dimethyl-pentylazanium bromide?
The canonical SMILES for 2-hydroxypropyl-dimethyl-pentylazanium bromide is CCCCC[N+](C)(C)CC(C)O.[Br-].
What is the InChIKey of 2-hydroxypropyl-dimethyl-pentylazanium bromide?
The InChIKey is MISHKDIWONXTBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO.BrH/c1-5-6-7-8-11(3,4)9-10(2)12;/h10,12H,5-9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-hydroxypropyl-dimethyl-pentylazanium bromide?
2-hydroxypropyl-dimethyl-pentylazanium bromide has a molecular weight of 254.21 g/mol, XLogP of -1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl-dimethyl-pentylazanium bromide is sourced from PubChem (CID 10848518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).