2-amino-3,3-diethyloctan-1-ol

C12H27NO — CID 21427787

IUPAC2-amino-3,3-diethyloctan-1-ol
SMILESCCCCCC(CC)(CC)C(N)CO
InChIInChI=1S/C12H27NO/c1-4-7-8-9-12(5-2,6-3)11(13)10-14/h11,14H,4-10,13H2,1-3H3
InChIKeyUICBAVATXZFFDW-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds8

About 2-amino-3,3-diethyloctan-1-ol

2-amino-3,3-diethyloctan-1-ol (PubChem CID 21427787) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-amino-3,3-diethyloctan-1-ol.

Molecular Properties

Compound Name2-amino-3,3-diethyloctan-1-ol
PubChem CID21427787
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-amino-3,3-diethyloctan-1-ol
SMILESCCCCCC(CC)(CC)C(N)CO
InChIInChI=1S/C12H27NO/c1-4-7-8-9-12(5-2,6-3)11(13)10-14/h11,14H,4-10,13H2,1-3H3
InChIKeyUICBAVATXZFFDW-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-diethyloctan-1-ol?
The IUPAC name of 2-amino-3,3-diethyloctan-1-ol (CID 21427787) is 2-amino-3,3-diethyloctan-1-ol.
What is the SMILES notation for 2-amino-3,3-diethyloctan-1-ol?
The canonical SMILES for 2-amino-3,3-diethyloctan-1-ol is CCCCCC(CC)(CC)C(N)CO.
What is the InChIKey of 2-amino-3,3-diethyloctan-1-ol?
The InChIKey is UICBAVATXZFFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-8-9-12(5-2,6-3)11(13)10-14/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 2-amino-3,3-diethyloctan-1-ol?
2-amino-3,3-diethyloctan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-diethyloctan-1-ol is sourced from PubChem (CID 21427787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).