11-aminoundecan-1-ol

C11H25NO — CID 11789950

IUPAC11-aminoundecan-1-ol
SMILESNCCCCCCCCCCCO
InChIInChI=1S/C11H25NO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2
InChIKeyQCSCNTGILDKNRW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.45
Rot. Bonds10

About 11-aminoundecan-1-ol

11-aminoundecan-1-ol (PubChem CID 11789950) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 11-aminoundecan-1-ol.

Molecular Properties

Compound Name11-aminoundecan-1-ol
PubChem CID11789950
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name11-aminoundecan-1-ol
SMILESNCCCCCCCCCCCO
InChIInChI=1S/C11H25NO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2
InChIKeyQCSCNTGILDKNRW-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-aminoundecan-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 11-aminoundecan-1-ol?
The IUPAC name of 11-aminoundecan-1-ol (CID 11789950) is 11-aminoundecan-1-ol.
What is the SMILES notation for 11-aminoundecan-1-ol?
The canonical SMILES for 11-aminoundecan-1-ol is NCCCCCCCCCCCO.
What is the InChIKey of 11-aminoundecan-1-ol?
The InChIKey is QCSCNTGILDKNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-12H2.
What are the key properties of 11-aminoundecan-1-ol?
11-aminoundecan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-aminoundecan-1-ol is sourced from PubChem (CID 11789950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).