2-(2-methylpropylamino)ethanol;hydrochloride

C6H16ClNO — CID 53433681

IUPAC2-(2-methylpropylamino)ethanol;hydrochloride
SMILESCC(C)CNCCO.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2)5-7-3-4-8;/h6-8H,3-5H2,1-2H3;1H
InChIKeyIKCSKYBVDGOHFR-UHFFFAOYSA-N
MW153.65 g/mol
LogP0.65
Rot. Bonds4

About 2-(2-methylpropylamino)ethanol;hydrochloride

2-(2-methylpropylamino)ethanol;hydrochloride (PubChem CID 53433681) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 2-(2-methylpropylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropylamino)ethanol;hydrochloride
PubChem CID53433681
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name2-(2-methylpropylamino)ethanol;hydrochloride
SMILESCC(C)CNCCO.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2)5-7-3-4-8;/h6-8H,3-5H2,1-2H3;1H
InChIKeyIKCSKYBVDGOHFR-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)ethanol;hydrochloride?
The IUPAC name of 2-(2-methylpropylamino)ethanol;hydrochloride (CID 53433681) is 2-(2-methylpropylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-(2-methylpropylamino)ethanol;hydrochloride?
The canonical SMILES for 2-(2-methylpropylamino)ethanol;hydrochloride is CC(C)CNCCO.Cl.
What is the InChIKey of 2-(2-methylpropylamino)ethanol;hydrochloride?
The InChIKey is IKCSKYBVDGOHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-6(2)5-7-3-4-8;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 2-(2-methylpropylamino)ethanol;hydrochloride?
2-(2-methylpropylamino)ethanol;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)ethanol;hydrochloride is sourced from PubChem (CID 53433681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).