butan-1-amine;2-(2-hydroxyethoxy)ethanol

C8H21NO3 — CID 158511117

IUPACbutan-1-amine;2-(2-hydroxyethoxy)ethanol
SMILESCCCCN.OCCOCCO
InChIInChI=1S/C4H11N.C4H10O3/c1-2-3-4-5;5-1-3-7-4-2-6/h2-5H2,1H3;5-6H,1-4H2
InChIKeyHLBIVOIPKIUHCH-UHFFFAOYSA-N
MW179.26 g/mol
LogP-0.27
Rot. Bonds6

About butan-1-amine;2-(2-hydroxyethoxy)ethanol

butan-1-amine;2-(2-hydroxyethoxy)ethanol (PubChem CID 158511117) has the molecular formula C8H21NO3 and a molecular weight of 179.26 g/mol. Its IUPAC name is butan-1-amine;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namebutan-1-amine;2-(2-hydroxyethoxy)ethanol
PubChem CID158511117
Molecular FormulaC8H21NO3
Molecular Weight179.26 g/mol
Exact Mass179.15
IUPAC Namebutan-1-amine;2-(2-hydroxyethoxy)ethanol
SMILESCCCCN.OCCOCCO
InChIInChI=1S/C4H11N.C4H10O3/c1-2-3-4-5;5-1-3-7-4-2-6/h2-5H2,1H3;5-6H,1-4H2
InChIKeyHLBIVOIPKIUHCH-UHFFFAOYSA-N
XLogP-0.27
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-octadecoxyethanol;propan-1-amine
CID 174446488
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-butoxyethanol
CID 8133
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-dodecoxyethanol
CID 24750
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of butan-1-amine;2-(2-hydroxyethoxy)ethanol (CID 158511117) is butan-1-amine;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for butan-1-amine;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for butan-1-amine;2-(2-hydroxyethoxy)ethanol is CCCCN.OCCOCCO.
What is the InChIKey of butan-1-amine;2-(2-hydroxyethoxy)ethanol?
The InChIKey is HLBIVOIPKIUHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H10O3/c1-2-3-4-5;5-1-3-7-4-2-6/h2-5H2,1H3;5-6H,1-4H2.
What are the key properties of butan-1-amine;2-(2-hydroxyethoxy)ethanol?
butan-1-amine;2-(2-hydroxyethoxy)ethanol has a molecular weight of 179.26 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 158511117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).