3-(3,7-dimethyloctylamino)propan-1-ol

C13H29NO — CID 54562711

IUPAC3-(3,7-dimethyloctylamino)propan-1-ol
SMILESCC(C)CCCC(C)CCNCCCO
InChIInChI=1S/C13H29NO/c1-12(2)6-4-7-13(3)8-10-14-9-5-11-15/h12-15H,4-11H2,1-3H3
InChIKeyZRQYTHFKYHVOSF-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds10

About 3-(3,7-dimethyloctylamino)propan-1-ol

3-(3,7-dimethyloctylamino)propan-1-ol (PubChem CID 54562711) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-(3,7-dimethyloctylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,7-dimethyloctylamino)propan-1-ol
PubChem CID54562711
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-(3,7-dimethyloctylamino)propan-1-ol
SMILESCC(C)CCCC(C)CCNCCCO
InChIInChI=1S/C13H29NO/c1-12(2)6-4-7-13(3)8-10-14-9-5-11-15/h12-15H,4-11H2,1-3H3
InChIKeyZRQYTHFKYHVOSF-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,7-dimethyloctylamino)propan-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 3-(3,7-dimethyloctylamino)propan-1-ol?
The IUPAC name of 3-(3,7-dimethyloctylamino)propan-1-ol (CID 54562711) is 3-(3,7-dimethyloctylamino)propan-1-ol.
What is the SMILES notation for 3-(3,7-dimethyloctylamino)propan-1-ol?
The canonical SMILES for 3-(3,7-dimethyloctylamino)propan-1-ol is CC(C)CCCC(C)CCNCCCO.
What is the InChIKey of 3-(3,7-dimethyloctylamino)propan-1-ol?
The InChIKey is ZRQYTHFKYHVOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2)6-4-7-13(3)8-10-14-9-5-11-15/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-(3,7-dimethyloctylamino)propan-1-ol?
3-(3,7-dimethyloctylamino)propan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyloctylamino)propan-1-ol is sourced from PubChem (CID 54562711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).