1-(1-hydroxyethylamino)hexan-1-ol

C8H19NO2 — CID 57293401

IUPAC1-(1-hydroxyethylamino)hexan-1-ol
SMILESCCCCCC(O)NC(C)O
InChIInChI=1S/C8H19NO2/c1-3-4-5-6-8(11)9-7(2)10/h7-11H,3-6H2,1-2H3
InChIKeyKDIUUAUSEQBIHD-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.81
Rot. Bonds6

About 1-(1-hydroxyethylamino)hexan-1-ol

1-(1-hydroxyethylamino)hexan-1-ol (PubChem CID 57293401) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(1-hydroxyethylamino)hexan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxyethylamino)hexan-1-ol
PubChem CID57293401
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-(1-hydroxyethylamino)hexan-1-ol
SMILESCCCCCC(O)NC(C)O
InChIInChI=1S/C8H19NO2/c1-3-4-5-6-8(11)9-7(2)10/h7-11H,3-6H2,1-2H3
InChIKeyKDIUUAUSEQBIHD-UHFFFAOYSA-N
XLogP0.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(decan-5-ylamino)ethanol
CID 174223267
1-(pentadecan-2-ylamino)ethanol
CID 90985657
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
1-(octan-3-ylamino)hexan-1-ol
CID 155661048
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
1-(1-aminobutylamino)heptan-1-ol
CID 142734448
1-(octylamino)dodecan-1-ol
CID 88518081
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylamino)hexan-1-ol?
The IUPAC name of 1-(1-hydroxyethylamino)hexan-1-ol (CID 57293401) is 1-(1-hydroxyethylamino)hexan-1-ol.
What is the SMILES notation for 1-(1-hydroxyethylamino)hexan-1-ol?
The canonical SMILES for 1-(1-hydroxyethylamino)hexan-1-ol is CCCCCC(O)NC(C)O.
What is the InChIKey of 1-(1-hydroxyethylamino)hexan-1-ol?
The InChIKey is KDIUUAUSEQBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-4-5-6-8(11)9-7(2)10/h7-11H,3-6H2,1-2H3.
What are the key properties of 1-(1-hydroxyethylamino)hexan-1-ol?
1-(1-hydroxyethylamino)hexan-1-ol has a molecular weight of 161.25 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylamino)hexan-1-ol is sourced from PubChem (CID 57293401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).