2-(3,7-dimethyloctylamino)propan-1-ol

C13H29NO — CID 54489076

IUPAC2-(3,7-dimethyloctylamino)propan-1-ol
SMILESCC(C)CCCC(C)CCNC(C)CO
InChIInChI=1S/C13H29NO/c1-11(2)6-5-7-12(3)8-9-14-13(4)10-15/h11-15H,5-10H2,1-4H3
InChIKeyXULMGFZAKXHDAX-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds9

About 2-(3,7-dimethyloctylamino)propan-1-ol

2-(3,7-dimethyloctylamino)propan-1-ol (PubChem CID 54489076) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(3,7-dimethyloctylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3,7-dimethyloctylamino)propan-1-ol
PubChem CID54489076
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(3,7-dimethyloctylamino)propan-1-ol
SMILESCC(C)CCCC(C)CCNC(C)CO
InChIInChI=1S/C13H29NO/c1-11(2)6-5-7-12(3)8-9-14-13(4)10-15/h11-15H,5-10H2,1-4H3
InChIKeyXULMGFZAKXHDAX-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloctylamino)propan-1-ol?
The IUPAC name of 2-(3,7-dimethyloctylamino)propan-1-ol (CID 54489076) is 2-(3,7-dimethyloctylamino)propan-1-ol.
What is the SMILES notation for 2-(3,7-dimethyloctylamino)propan-1-ol?
The canonical SMILES for 2-(3,7-dimethyloctylamino)propan-1-ol is CC(C)CCCC(C)CCNC(C)CO.
What is the InChIKey of 2-(3,7-dimethyloctylamino)propan-1-ol?
The InChIKey is XULMGFZAKXHDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)6-5-7-12(3)8-9-14-13(4)10-15/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-(3,7-dimethyloctylamino)propan-1-ol?
2-(3,7-dimethyloctylamino)propan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloctylamino)propan-1-ol is sourced from PubChem (CID 54489076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).