1-(butylamino)ethanol;hydrochloride

C6H16ClNO — CID 20534159

IUPAC1-(butylamino)ethanol;hydrochloride
SMILESCCCCNC(C)O.Cl
InChIInChI=1S/C6H15NO.ClH/c1-3-4-5-7-6(2)8;/h6-8H,3-5H2,1-2H3;1H
InChIKeyAUXBHTYZRWYEPL-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.14
Rot. Bonds4

About 1-(butylamino)ethanol;hydrochloride

1-(butylamino)ethanol;hydrochloride (PubChem CID 20534159) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 1-(butylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(butylamino)ethanol;hydrochloride
PubChem CID20534159
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name1-(butylamino)ethanol;hydrochloride
SMILESCCCCNC(C)O.Cl
InChIInChI=1S/C6H15NO.ClH/c1-3-4-5-7-6(2)8;/h6-8H,3-5H2,1-2H3;1H
InChIKeyAUXBHTYZRWYEPL-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-octoxypropylamino)ethanol
CID 88783287
(1S)-1-(butylamino)propan-1-ol
CID 153016894
butylaminomethanedithiol
CID 25110747
N-propan-2-ylbutan-1-amine chloride
CID 19629099
6-(1-hydroxyethylamino)hexan-1-ol
CID 57216176
1-(butylamino)-2-(sulfanylamino)ethanol
CID 138721720
2-(tetradecylamino)propane-1,1-diol
CID 174762987
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
octadecanamide;1-(propylamino)ethanol
CID 137369550
3-(butylamino)butane-2-thione
CID 123548985
(hexadecylamino)methanediol
CID 139772673

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)ethanol;hydrochloride?
The IUPAC name of 1-(butylamino)ethanol;hydrochloride (CID 20534159) is 1-(butylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(butylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(butylamino)ethanol;hydrochloride is CCCCNC(C)O.Cl.
What is the InChIKey of 1-(butylamino)ethanol;hydrochloride?
The InChIKey is AUXBHTYZRWYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-3-4-5-7-6(2)8;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 1-(butylamino)ethanol;hydrochloride?
1-(butylamino)ethanol;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)ethanol;hydrochloride is sourced from PubChem (CID 20534159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).