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

C7H17NO3 — CID 21493098

IUPAC5-amino-1-(2-hydroxyethoxy)pentan-2-ol
SMILESNCCCC(O)COCCO
InChIInChI=1S/C7H17NO3/c8-3-1-2-7(10)6-11-5-4-9/h7,9-10H,1-6,8H2
InChIKeyZWNPZWRSZLZOAW-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.90
Rot. Bonds7

About 5-amino-1-(2-hydroxyethoxy)pentan-2-ol

5-amino-1-(2-hydroxyethoxy)pentan-2-ol (PubChem CID 21493098) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyethoxy)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyethoxy)pentan-2-ol
PubChem CID21493098
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name5-amino-1-(2-hydroxyethoxy)pentan-2-ol
SMILESNCCCC(O)COCCO
InChIInChI=1S/C7H17NO3/c8-3-1-2-7(10)6-11-5-4-9/h7,9-10H,1-6,8H2
InChIKeyZWNPZWRSZLZOAW-UHFFFAOYSA-N
XLogP-0.90
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.90
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

1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
5-hydroxy-6-(2-hydroxyethoxy)hexanamide
CID 175269761
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274110
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
CID 134163545
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol
CID 57181303
acetic acid;1-(2-hydroxyethoxy)hexan-2-ol
CID 87319718
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol
CID 163519877

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxyethoxy)pentan-2-ol?
The IUPAC name of 5-amino-1-(2-hydroxyethoxy)pentan-2-ol (CID 21493098) is 5-amino-1-(2-hydroxyethoxy)pentan-2-ol.
What is the SMILES notation for 5-amino-1-(2-hydroxyethoxy)pentan-2-ol?
The canonical SMILES for 5-amino-1-(2-hydroxyethoxy)pentan-2-ol is NCCCC(O)COCCO.
What is the InChIKey of 5-amino-1-(2-hydroxyethoxy)pentan-2-ol?
The InChIKey is ZWNPZWRSZLZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c8-3-1-2-7(10)6-11-5-4-9/h7,9-10H,1-6,8H2.
What are the key properties of 5-amino-1-(2-hydroxyethoxy)pentan-2-ol?
5-amino-1-(2-hydroxyethoxy)pentan-2-ol has a molecular weight of 163.22 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyethoxy)pentan-2-ol is sourced from PubChem (CID 21493098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).