11-amino-2,2-dimethyltridecan-1-ol

C15H33NO — CID 12941762

IUPAC11-amino-2,2-dimethyltridecan-1-ol
SMILESCCC(N)CCCCCCCCC(C)(C)CO
InChIInChI=1S/C15H33NO/c1-4-14(16)11-9-7-5-6-8-10-12-15(2,3)13-17/h14,17H,4-13,16H2,1-3H3
InChIKeyQURJOJRRXVGRPH-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.86
Rot. Bonds11

About 11-amino-2,2-dimethyltridecan-1-ol

11-amino-2,2-dimethyltridecan-1-ol (PubChem CID 12941762) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 11-amino-2,2-dimethyltridecan-1-ol.

Molecular Properties

Compound Name11-amino-2,2-dimethyltridecan-1-ol
PubChem CID12941762
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name11-amino-2,2-dimethyltridecan-1-ol
SMILESCCC(N)CCCCCCCCC(C)(C)CO
InChIInChI=1S/C15H33NO/c1-4-14(16)11-9-7-5-6-8-10-12-15(2,3)13-17/h14,17H,4-13,16H2,1-3H3
InChIKeyQURJOJRRXVGRPH-UHFFFAOYSA-N
XLogP3.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.86
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 11-amino-2,2-dimethyltridecan-1-ol?
The IUPAC name of 11-amino-2,2-dimethyltridecan-1-ol (CID 12941762) is 11-amino-2,2-dimethyltridecan-1-ol.
What is the SMILES notation for 11-amino-2,2-dimethyltridecan-1-ol?
The canonical SMILES for 11-amino-2,2-dimethyltridecan-1-ol is CCC(N)CCCCCCCCC(C)(C)CO.
What is the InChIKey of 11-amino-2,2-dimethyltridecan-1-ol?
The InChIKey is QURJOJRRXVGRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-14(16)11-9-7-5-6-8-10-12-15(2,3)13-17/h14,17H,4-13,16H2,1-3H3.
What are the key properties of 11-amino-2,2-dimethyltridecan-1-ol?
11-amino-2,2-dimethyltridecan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2,2-dimethyltridecan-1-ol is sourced from PubChem (CID 12941762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).