6-(1-hydroxyethylamino)hexan-1-ol

C8H19NO2 — CID 57216176

IUPAC6-(1-hydroxyethylamino)hexan-1-ol
SMILESCC(O)NCCCCCCO
InChIInChI=1S/C8H19NO2/c1-8(11)9-6-4-2-3-5-7-10/h8-11H,2-7H2,1H3
InChIKeyUJOXVHQIQGAZSS-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.47
Rot. Bonds7

About 6-(1-hydroxyethylamino)hexan-1-ol

6-(1-hydroxyethylamino)hexan-1-ol (PubChem CID 57216176) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 6-(1-hydroxyethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1-hydroxyethylamino)hexan-1-ol
PubChem CID57216176
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name6-(1-hydroxyethylamino)hexan-1-ol
SMILESCC(O)NCCCCCCO
InChIInChI=1S/C8H19NO2/c1-8(11)9-6-4-2-3-5-7-10/h8-11H,2-7H2,1H3
InChIKeyUJOXVHQIQGAZSS-UHFFFAOYSA-N
XLogP0.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.47
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

4-(propan-2-ylamino)butan-1-ol
CID 12950986
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(butylamino)ethanol;hydrochloride
CID 20534159
3-(4-hydroxybutylamino)-2-methylsulfanylbutan-1-ol
CID 106160735
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol
CID 107316964
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
2-(5-hydroxypentylamino)-4-methylpentanoic acid
CID 62228109

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethylamino)hexan-1-ol?
The IUPAC name of 6-(1-hydroxyethylamino)hexan-1-ol (CID 57216176) is 6-(1-hydroxyethylamino)hexan-1-ol.
What is the SMILES notation for 6-(1-hydroxyethylamino)hexan-1-ol?
The canonical SMILES for 6-(1-hydroxyethylamino)hexan-1-ol is CC(O)NCCCCCCO.
What is the InChIKey of 6-(1-hydroxyethylamino)hexan-1-ol?
The InChIKey is UJOXVHQIQGAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(11)9-6-4-2-3-5-7-10/h8-11H,2-7H2,1H3.
What are the key properties of 6-(1-hydroxyethylamino)hexan-1-ol?
6-(1-hydroxyethylamino)hexan-1-ol has a molecular weight of 161.25 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethylamino)hexan-1-ol is sourced from PubChem (CID 57216176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).