(E)-2-(methylamino)hex-4-ene-1,3-diol

C7H15NO2 — CID 59874404

IUPAC(E)-2-(methylamino)hex-4-ene-1,3-diol
SMILESC/C=C/C(O)C(CO)NC
InChIInChI=1S/C7H15NO2/c1-3-4-7(10)6(5-9)8-2/h3-4,6-10H,5H2,1-2H3/b4-3+
InChIKeyZZHJXHQMMYMIQN-ONEGZZNKSA-N
MW145.20 g/mol
LogP-0.50
Rot. Bonds4

About (E)-2-(methylamino)hex-4-ene-1,3-diol

(E)-2-(methylamino)hex-4-ene-1,3-diol (PubChem CID 59874404) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (E)-2-(methylamino)hex-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-(methylamino)hex-4-ene-1,3-diol
PubChem CID59874404
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(E)-2-(methylamino)hex-4-ene-1,3-diol
SMILESC/C=C/C(O)C(CO)NC
InChIInChI=1S/C7H15NO2/c1-3-4-7(10)6(5-9)8-2/h3-4,6-10H,5H2,1-2H3/b4-3+
InChIKeyZZHJXHQMMYMIQN-ONEGZZNKSA-N
XLogP-0.50
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-(methylamino)hex-4-ene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(methylamino)hex-4-ene-1,3-diol?
The IUPAC name of (E)-2-(methylamino)hex-4-ene-1,3-diol (CID 59874404) is (E)-2-(methylamino)hex-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-(methylamino)hex-4-ene-1,3-diol?
The canonical SMILES for (E)-2-(methylamino)hex-4-ene-1,3-diol is C/C=C/C(O)C(CO)NC.
What is the InChIKey of (E)-2-(methylamino)hex-4-ene-1,3-diol?
The InChIKey is ZZHJXHQMMYMIQN-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-7(10)6(5-9)8-2/h3-4,6-10H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-2-(methylamino)hex-4-ene-1,3-diol?
(E)-2-(methylamino)hex-4-ene-1,3-diol has a molecular weight of 145.20 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methylamino)hex-4-ene-1,3-diol is sourced from PubChem (CID 59874404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).