(6-butyl-6-hydroxydecan-5-yl)azanium bromide

C14H32BrNO — CID 176507252

IUPAC(6-butyl-6-hydroxydecan-5-yl)azanium bromide
SMILESCCCCC([NH3+])C(O)(CCCC)CCCC.[Br-]
InChIInChI=1S/C14H31NO.BrH/c1-4-7-10-13(15)14(16,11-8-5-2)12-9-6-3;/h13,16H,4-12,15H2,1-3H3;1H
InChIKeyPWDAHQIAONSWLD-UHFFFAOYSA-N
MW310.32 g/mol
LogP-0.10
Rot. Bonds10

About (6-butyl-6-hydroxydecan-5-yl)azanium bromide

(6-butyl-6-hydroxydecan-5-yl)azanium bromide (PubChem CID 176507252) has the molecular formula C14H32BrNO and a molecular weight of 310.32 g/mol. Its IUPAC name is (6-butyl-6-hydroxydecan-5-yl)azanium bromide.

Molecular Properties

Compound Name(6-butyl-6-hydroxydecan-5-yl)azanium bromide
PubChem CID176507252
Molecular FormulaC14H32BrNO
Molecular Weight310.32 g/mol
Exact Mass309.17
IUPAC Name(6-butyl-6-hydroxydecan-5-yl)azanium bromide
SMILESCCCCC([NH3+])C(O)(CCCC)CCCC.[Br-]
InChIInChI=1S/C14H31NO.BrH/c1-4-7-10-13(15)14(16,11-8-5-2)12-9-6-3;/h13,16H,4-12,15H2,1-3H3;1H
InChIKeyPWDAHQIAONSWLD-UHFFFAOYSA-N
XLogP-0.10
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-butyl-6-hydroxydecan-5-yl)azanium bromide?
The IUPAC name of (6-butyl-6-hydroxydecan-5-yl)azanium bromide (CID 176507252) is (6-butyl-6-hydroxydecan-5-yl)azanium bromide.
What is the SMILES notation for (6-butyl-6-hydroxydecan-5-yl)azanium bromide?
The canonical SMILES for (6-butyl-6-hydroxydecan-5-yl)azanium bromide is CCCCC([NH3+])C(O)(CCCC)CCCC.[Br-].
What is the InChIKey of (6-butyl-6-hydroxydecan-5-yl)azanium bromide?
The InChIKey is PWDAHQIAONSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO.BrH/c1-4-7-10-13(15)14(16,11-8-5-2)12-9-6-3;/h13,16H,4-12,15H2,1-3H3;1H.
What are the key properties of (6-butyl-6-hydroxydecan-5-yl)azanium bromide?
(6-butyl-6-hydroxydecan-5-yl)azanium bromide has a molecular weight of 310.32 g/mol, XLogP of -0.10, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butyl-6-hydroxydecan-5-yl)azanium bromide is sourced from PubChem (CID 176507252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).