(3S)-1-methoxy-3,5-dimethyloctan-3-amine

C11H25NO — CID 178114532

IUPAC(3S)-1-methoxy-3,5-dimethyloctan-3-amine
SMILESCCCC(C)C[C@](C)(N)CCOC
InChIInChI=1S/C11H25NO/c1-5-6-10(2)9-11(3,12)7-8-13-4/h10H,5-9,12H2,1-4H3/t10?,11-/m1/s1
InChIKeyOEJSQQMYNBLVMD-RRKGBCIJSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds7

About (3S)-1-methoxy-3,5-dimethyloctan-3-amine

(3S)-1-methoxy-3,5-dimethyloctan-3-amine (PubChem CID 178114532) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (3S)-1-methoxy-3,5-dimethyloctan-3-amine.

Molecular Properties

Compound Name(3S)-1-methoxy-3,5-dimethyloctan-3-amine
PubChem CID178114532
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(3S)-1-methoxy-3,5-dimethyloctan-3-amine
SMILESCCCC(C)C[C@](C)(N)CCOC
InChIInChI=1S/C11H25NO/c1-5-6-10(2)9-11(3,12)7-8-13-4/h10H,5-9,12H2,1-4H3/t10?,11-/m1/s1
InChIKeyOEJSQQMYNBLVMD-RRKGBCIJSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-methoxy-3,5-dimethyloctan-3-amine 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 (3S)-1-methoxy-3,5-dimethyloctan-3-amine?
The IUPAC name of (3S)-1-methoxy-3,5-dimethyloctan-3-amine (CID 178114532) is (3S)-1-methoxy-3,5-dimethyloctan-3-amine.
What is the SMILES notation for (3S)-1-methoxy-3,5-dimethyloctan-3-amine?
The canonical SMILES for (3S)-1-methoxy-3,5-dimethyloctan-3-amine is CCCC(C)C[C@](C)(N)CCOC.
What is the InChIKey of (3S)-1-methoxy-3,5-dimethyloctan-3-amine?
The InChIKey is OEJSQQMYNBLVMD-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-6-10(2)9-11(3,12)7-8-13-4/h10H,5-9,12H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (3S)-1-methoxy-3,5-dimethyloctan-3-amine?
(3S)-1-methoxy-3,5-dimethyloctan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methoxy-3,5-dimethyloctan-3-amine is sourced from PubChem (CID 178114532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).