2-[amino(hexyl)amino]ethanol

C8H20N2O — CID 174585549

IUPAC2-[amino(hexyl)amino]ethanol
SMILESCCCCCCN(N)CCO
InChIInChI=1S/C8H20N2O/c1-2-3-4-5-6-10(9)7-8-11/h11H,2-9H2,1H3
InChIKeyYSMNPWXTAGIWHL-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.73
Rot. Bonds7

About 2-[amino(hexyl)amino]ethanol

2-[amino(hexyl)amino]ethanol (PubChem CID 174585549) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-[amino(hexyl)amino]ethanol.

Molecular Properties

Compound Name2-[amino(hexyl)amino]ethanol
PubChem CID174585549
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-[amino(hexyl)amino]ethanol
SMILESCCCCCCN(N)CCO
InChIInChI=1S/C8H20N2O/c1-2-3-4-5-6-10(9)7-8-11/h11H,2-9H2,1H3
InChIKeyYSMNPWXTAGIWHL-UHFFFAOYSA-N
XLogP0.73
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-tridecylhydrazine
CID 150294770
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[hexadecyl(iodo)amino]ethanol
CID 174670309
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509

Frequently Asked Questions

What is the IUPAC name of 2-[amino(hexyl)amino]ethanol?
The IUPAC name of 2-[amino(hexyl)amino]ethanol (CID 174585549) is 2-[amino(hexyl)amino]ethanol.
What is the SMILES notation for 2-[amino(hexyl)amino]ethanol?
The canonical SMILES for 2-[amino(hexyl)amino]ethanol is CCCCCCN(N)CCO.
What is the InChIKey of 2-[amino(hexyl)amino]ethanol?
The InChIKey is YSMNPWXTAGIWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-2-3-4-5-6-10(9)7-8-11/h11H,2-9H2,1H3.
What are the key properties of 2-[amino(hexyl)amino]ethanol?
2-[amino(hexyl)amino]ethanol has a molecular weight of 160.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(hexyl)amino]ethanol is sourced from PubChem (CID 174585549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).