(E)-5-methyl-3-(methylamino)oct-6-en-4-ol

C10H21NO — CID 59728821

IUPAC(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
SMILESC/C=C/C(C)C(O)C(CC)NC
InChIInChI=1S/C10H21NO/c1-5-7-8(3)10(12)9(6-2)11-4/h5,7-12H,6H2,1-4H3/b7-5+
InChIKeyAUWUFFLTLFDNHE-FNORWQNLSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds5

About (E)-5-methyl-3-(methylamino)oct-6-en-4-ol

(E)-5-methyl-3-(methylamino)oct-6-en-4-ol (PubChem CID 59728821) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-5-methyl-3-(methylamino)oct-6-en-4-ol.

Molecular Properties

Compound Name(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
PubChem CID59728821
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
SMILESC/C=C/C(C)C(O)C(CC)NC
InChIInChI=1S/C10H21NO/c1-5-7-8(3)10(12)9(6-2)11-4/h5,7-12H,6H2,1-4H3/b7-5+
InChIKeyAUWUFFLTLFDNHE-FNORWQNLSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-methyl-3-(methylamino)oct-6-en-4-ol 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)-5-methyl-3-(methylamino)oct-6-en-4-ol?
The IUPAC name of (E)-5-methyl-3-(methylamino)oct-6-en-4-ol (CID 59728821) is (E)-5-methyl-3-(methylamino)oct-6-en-4-ol.
What is the SMILES notation for (E)-5-methyl-3-(methylamino)oct-6-en-4-ol?
The canonical SMILES for (E)-5-methyl-3-(methylamino)oct-6-en-4-ol is C/C=C/C(C)C(O)C(CC)NC.
What is the InChIKey of (E)-5-methyl-3-(methylamino)oct-6-en-4-ol?
The InChIKey is AUWUFFLTLFDNHE-FNORWQNLSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-8(3)10(12)9(6-2)11-4/h5,7-12H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-5-methyl-3-(methylamino)oct-6-en-4-ol?
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol has a molecular weight of 171.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-3-(methylamino)oct-6-en-4-ol is sourced from PubChem (CID 59728821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).