(E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol

C9H19NO2 — CID 59944818

IUPAC(E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol
SMILESCCN(C)CC(O)/C=C/CCO
InChIInChI=1S/C9H19NO2/c1-3-10(2)8-9(12)6-4-5-7-11/h4,6,9,11-12H,3,5,7-8H2,1-2H3/b6-4+
InChIKeyYMSPDQLHNSSBIB-GQCTYLIASA-N
MW173.26 g/mol
LogP0.24
Rot. Bonds6

About (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol

(E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol (PubChem CID 59944818) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol.

Molecular Properties

Compound Name(E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol
PubChem CID59944818
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol
SMILESCCN(C)CC(O)/C=C/CCO
InChIInChI=1S/C9H19NO2/c1-3-10(2)8-9(12)6-4-5-7-11/h4,6,9,11-12H,3,5,7-8H2,1-2H3/b6-4+
InChIKeyYMSPDQLHNSSBIB-GQCTYLIASA-N
XLogP0.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol?
The IUPAC name of (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol (CID 59944818) is (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol.
What is the SMILES notation for (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol?
The canonical SMILES for (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol is CCN(C)CC(O)/C=C/CCO.
What is the InChIKey of (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol?
The InChIKey is YMSPDQLHNSSBIB-GQCTYLIASA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-10(2)8-9(12)6-4-5-7-11/h4,6,9,11-12H,3,5,7-8H2,1-2H3/b6-4+.
What are the key properties of (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol?
(E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol has a molecular weight of 173.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[ethyl(methyl)amino]hex-3-ene-1,5-diol is sourced from PubChem (CID 59944818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).