4-amino-1-(2-hydroxyethoxy)pentan-2-ol

C7H17NO3 — CID 158045647

IUPAC4-amino-1-(2-hydroxyethoxy)pentan-2-ol
SMILESCC(N)CC(O)COCCO
InChIInChI=1S/C7H17NO3/c1-6(8)4-7(10)5-11-3-2-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyFIWKVJREMOSKHC-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.91
Rot. Bonds6

About 4-amino-1-(2-hydroxyethoxy)pentan-2-ol

4-amino-1-(2-hydroxyethoxy)pentan-2-ol (PubChem CID 158045647) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-amino-1-(2-hydroxyethoxy)pentan-2-ol.

Molecular Properties

Compound Name4-amino-1-(2-hydroxyethoxy)pentan-2-ol
PubChem CID158045647
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name4-amino-1-(2-hydroxyethoxy)pentan-2-ol
SMILESCC(N)CC(O)COCCO
InChIInChI=1S/C7H17NO3/c1-6(8)4-7(10)5-11-3-2-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyFIWKVJREMOSKHC-UHFFFAOYSA-N
XLogP-0.91
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
2-(2-aminopropoxy)ethanol;2-methylbut-2-ene
CID 174594441
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
CID 173050700
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651
4-aminopentane-1,2-diol
CID 12701364
2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate
CID 59229184
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
CID 18784446
5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-hydroxyethoxy)pentan-2-ol?
The IUPAC name of 4-amino-1-(2-hydroxyethoxy)pentan-2-ol (CID 158045647) is 4-amino-1-(2-hydroxyethoxy)pentan-2-ol.
What is the SMILES notation for 4-amino-1-(2-hydroxyethoxy)pentan-2-ol?
The canonical SMILES for 4-amino-1-(2-hydroxyethoxy)pentan-2-ol is CC(N)CC(O)COCCO.
What is the InChIKey of 4-amino-1-(2-hydroxyethoxy)pentan-2-ol?
The InChIKey is FIWKVJREMOSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(8)4-7(10)5-11-3-2-9/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 4-amino-1-(2-hydroxyethoxy)pentan-2-ol?
4-amino-1-(2-hydroxyethoxy)pentan-2-ol has a molecular weight of 163.22 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-hydroxyethoxy)pentan-2-ol is sourced from PubChem (CID 158045647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).