2-(2-aminohexylamino)ethanol

C8H20N2O — CID 83960481

IUPAC2-(2-aminohexylamino)ethanol
SMILESCCCCC(N)CNCCO
InChIInChI=1S/C8H20N2O/c1-2-3-4-8(9)7-10-5-6-11/h8,10-11H,2-7,9H2,1H3
InChIKeyHYINSFXKIGCWQL-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.09
Rot. Bonds7

About 2-(2-aminohexylamino)ethanol

2-(2-aminohexylamino)ethanol (PubChem CID 83960481) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(2-aminohexylamino)ethanol.

Molecular Properties

Compound Name2-(2-aminohexylamino)ethanol
PubChem CID83960481
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-(2-aminohexylamino)ethanol
SMILESCCCCC(N)CNCCO
InChIInChI=1S/C8H20N2O/c1-2-3-4-8(9)7-10-5-6-11/h8,10-11H,2-7,9H2,1H3
InChIKeyHYINSFXKIGCWQL-UHFFFAOYSA-N
XLogP0.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
CID 122598675
(2S)-1-N-methylhexane-1,2-diamine
CID 89357717
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
(2R)-1-N-butylbutane-1,2-diamine
CID 130522167
2-(3-methylheptylamino)ethanol
CID 87944554
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
CID 83144065
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
1-amino-2-(butylamino)ethanol;hydrobromide
CID 174960683

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminohexylamino)ethanol?
The IUPAC name of 2-(2-aminohexylamino)ethanol (CID 83960481) is 2-(2-aminohexylamino)ethanol.
What is the SMILES notation for 2-(2-aminohexylamino)ethanol?
The canonical SMILES for 2-(2-aminohexylamino)ethanol is CCCCC(N)CNCCO.
What is the InChIKey of 2-(2-aminohexylamino)ethanol?
The InChIKey is HYINSFXKIGCWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-2-3-4-8(9)7-10-5-6-11/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 2-(2-aminohexylamino)ethanol?
2-(2-aminohexylamino)ethanol has a molecular weight of 160.26 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminohexylamino)ethanol is sourced from PubChem (CID 83960481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).