hexane-1,6-diol;2-(methylamino)ethanol

C9H23NO3 — CID 18353571

IUPAChexane-1,6-diol;2-(methylamino)ethanol
SMILESCNCCO.OCCCCCCO
InChIInChI=1S/C6H14O2.C3H9NO/c7-5-3-1-2-4-6-8;1-4-2-3-5/h7-8H,1-6H2;4-5H,2-3H2,1H3
InChIKeyFUUCLCFCHJWACR-UHFFFAOYSA-N
MW193.29 g/mol
LogP-0.27
Rot. Bonds7

About hexane-1,6-diol;2-(methylamino)ethanol

hexane-1,6-diol;2-(methylamino)ethanol (PubChem CID 18353571) has the molecular formula C9H23NO3 and a molecular weight of 193.29 g/mol. Its IUPAC name is hexane-1,6-diol;2-(methylamino)ethanol.

Molecular Properties

Compound Namehexane-1,6-diol;2-(methylamino)ethanol
PubChem CID18353571
Molecular FormulaC9H23NO3
Molecular Weight193.29 g/mol
Exact Mass193.17
IUPAC Namehexane-1,6-diol;2-(methylamino)ethanol
SMILESCNCCO.OCCCCCCO
InChIInChI=1S/C6H14O2.C3H9NO/c7-5-3-1-2-4-6-8;1-4-2-3-5/h7-8H,1-6H2;4-5H,2-3H2,1H3
InChIKeyFUUCLCFCHJWACR-UHFFFAOYSA-N
XLogP-0.27
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diol;2-(methylamino)ethanol?
The IUPAC name of hexane-1,6-diol;2-(methylamino)ethanol (CID 18353571) is hexane-1,6-diol;2-(methylamino)ethanol.
What is the SMILES notation for hexane-1,6-diol;2-(methylamino)ethanol?
The canonical SMILES for hexane-1,6-diol;2-(methylamino)ethanol is CNCCO.OCCCCCCO.
What is the InChIKey of hexane-1,6-diol;2-(methylamino)ethanol?
The InChIKey is FUUCLCFCHJWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C3H9NO/c7-5-3-1-2-4-6-8;1-4-2-3-5/h7-8H,1-6H2;4-5H,2-3H2,1H3.
What are the key properties of hexane-1,6-diol;2-(methylamino)ethanol?
hexane-1,6-diol;2-(methylamino)ethanol has a molecular weight of 193.29 g/mol, XLogP of -0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diol;2-(methylamino)ethanol is sourced from PubChem (CID 18353571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).