(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol

C8H17NO — CID 143024132

IUPAC(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
SMILESCC[C@@H](/C=C(\C)CO)NC
InChIInChI=1S/C8H17NO/c1-4-8(9-3)5-7(2)6-10/h5,8-10H,4,6H2,1-3H3/b7-5+/t8-/m0/s1
InChIKeyUYYJDCVUKMCWHF-IVGLGHLBSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds4

About (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol

(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol (PubChem CID 143024132) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
PubChem CID143024132
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
SMILESCC[C@@H](/C=C(\C)CO)NC
InChIInChI=1S/C8H17NO/c1-4-8(9-3)5-7(2)6-10/h5,8-10H,4,6H2,1-3H3/b7-5+/t8-/m0/s1
InChIKeyUYYJDCVUKMCWHF-IVGLGHLBSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-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,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
The IUPAC name of (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol (CID 143024132) is (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol.
What is the SMILES notation for (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
The canonical SMILES for (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol is CC[C@@H](/C=C(\C)CO)NC.
What is the InChIKey of (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
The InChIKey is UYYJDCVUKMCWHF-IVGLGHLBSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(9-3)5-7(2)6-10/h5,8-10H,4,6H2,1-3H3/b7-5+/t8-/m0/s1.
What are the key properties of (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol is sourced from PubChem (CID 143024132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).