2-(1-aminohexoxy)ethanol

C8H19NO2 — CID 87099968

IUPAC2-(1-aminohexoxy)ethanol
SMILESCCCCCC(N)OCCO
InChIInChI=1S/C8H19NO2/c1-2-3-4-5-8(9)11-7-6-10/h8,10H,2-7,9H2,1H3
InChIKeyUGGARDOCZKGNKI-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.86
Rot. Bonds7

About 2-(1-aminohexoxy)ethanol

2-(1-aminohexoxy)ethanol (PubChem CID 87099968) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(1-aminohexoxy)ethanol.

Molecular Properties

Compound Name2-(1-aminohexoxy)ethanol
PubChem CID87099968
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(1-aminohexoxy)ethanol
SMILESCCCCCC(N)OCCO
InChIInChI=1S/C8H19NO2/c1-2-3-4-5-8(9)11-7-6-10/h8,10H,2-7,9H2,1H3
InChIKeyUGGARDOCZKGNKI-UHFFFAOYSA-N
XLogP0.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
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

2-amino-2-tridecoxyethanol
CID 121414991
2-docosan-10-yloxyethanol
CID 173141834
1-pentoxybutane-1,4-diamine
CID 141071878
octadecyl 2-(2-hydroxyethoxy)icosanoate
CID 175005154
2-(2-methylnonan-4-yloxy)ethanol
CID 142712556
2-[2-(2-amino-2-butoxyethoxy)ethoxy]ethanol
CID 87459589
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305
2-(1-aminohexan-2-yloxy)ethanol
CID 103376898
tris(1-aminohexyl) phosphite
CID 87256127
O-(1-aminoheptyl)hydroxylamine
CID 89080647
2-decan-2-yloxyethanol;sulfuric acid
CID 158151690

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminohexoxy)ethanol?
The IUPAC name of 2-(1-aminohexoxy)ethanol (CID 87099968) is 2-(1-aminohexoxy)ethanol.
What is the SMILES notation for 2-(1-aminohexoxy)ethanol?
The canonical SMILES for 2-(1-aminohexoxy)ethanol is CCCCCC(N)OCCO.
What is the InChIKey of 2-(1-aminohexoxy)ethanol?
The InChIKey is UGGARDOCZKGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-2-3-4-5-8(9)11-7-6-10/h8,10H,2-7,9H2,1H3.
What are the key properties of 2-(1-aminohexoxy)ethanol?
2-(1-aminohexoxy)ethanol has a molecular weight of 161.24 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminohexoxy)ethanol is sourced from PubChem (CID 87099968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).