2-(propylamino)ethanol;hydrobromide

C5H14BrNO — CID 175488073

IUPAC2-(propylamino)ethanol;hydrobromide
SMILESBr.CCCNCCO
InChIInChI=1S/C5H13NO.BrH/c1-2-3-6-4-5-7;/h6-7H,2-5H2,1H3;1H
InChIKeyMUOMDXJMJGHJCV-UHFFFAOYSA-N
MW184.08 g/mol
LogP0.56
Rot. Bonds4

About 2-(propylamino)ethanol;hydrobromide

2-(propylamino)ethanol;hydrobromide (PubChem CID 175488073) has the molecular formula C5H14BrNO and a molecular weight of 184.08 g/mol. Its IUPAC name is 2-(propylamino)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(propylamino)ethanol;hydrobromide
PubChem CID175488073
Molecular FormulaC5H14BrNO
Molecular Weight184.08 g/mol
Exact Mass183.03
IUPAC Name2-(propylamino)ethanol;hydrobromide
SMILESBr.CCCNCCO
InChIInChI=1S/C5H13NO.BrH/c1-2-3-6-4-5-7;/h6-7H,2-5H2,1H3;1H
InChIKeyMUOMDXJMJGHJCV-UHFFFAOYSA-N
XLogP0.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
propane-1,3-diol;N-propylpropan-1-amine
CID 87073043
ethane;propane;propan-1-ol;N-propylpropan-1-amine
CID 143703279
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol
CID 58426265
2-(ethylamino)ethanol
CID 170923531
ethane;2-[2-(ethylamino)ethylamino]ethanol
CID 156647808
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
2-(ethylamino)ethanol;hydrate
CID 174456532

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)ethanol;hydrobromide?
The IUPAC name of 2-(propylamino)ethanol;hydrobromide (CID 175488073) is 2-(propylamino)ethanol;hydrobromide.
What is the SMILES notation for 2-(propylamino)ethanol;hydrobromide?
The canonical SMILES for 2-(propylamino)ethanol;hydrobromide is Br.CCCNCCO.
What is the InChIKey of 2-(propylamino)ethanol;hydrobromide?
The InChIKey is MUOMDXJMJGHJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.BrH/c1-2-3-6-4-5-7;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 2-(propylamino)ethanol;hydrobromide?
2-(propylamino)ethanol;hydrobromide has a molecular weight of 184.08 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethanol;hydrobromide is sourced from PubChem (CID 175488073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).