11-amino-2,12,12-trimethyltridecan-1-ol

C16H35NO — CID 12941764

IUPAC11-amino-2,12,12-trimethyltridecan-1-ol
SMILESCC(CO)CCCCCCCCC(N)C(C)(C)C
InChIInChI=1S/C16H35NO/c1-14(13-18)11-9-7-5-6-8-10-12-15(17)16(2,3)4/h14-15,18H,5-13,17H2,1-4H3
InChIKeyLEBUCCNZOFTICN-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.11
Rot. Bonds10

About 11-amino-2,12,12-trimethyltridecan-1-ol

11-amino-2,12,12-trimethyltridecan-1-ol (PubChem CID 12941764) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 11-amino-2,12,12-trimethyltridecan-1-ol.

Molecular Properties

Compound Name11-amino-2,12,12-trimethyltridecan-1-ol
PubChem CID12941764
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name11-amino-2,12,12-trimethyltridecan-1-ol
SMILESCC(CO)CCCCCCCCC(N)C(C)(C)C
InChIInChI=1S/C16H35NO/c1-14(13-18)11-9-7-5-6-8-10-12-15(17)16(2,3)4/h14-15,18H,5-13,17H2,1-4H3
InChIKeyLEBUCCNZOFTICN-UHFFFAOYSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.11
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-2,12,12-trimethyltridecan-1-ol?
The IUPAC name of 11-amino-2,12,12-trimethyltridecan-1-ol (CID 12941764) is 11-amino-2,12,12-trimethyltridecan-1-ol.
What is the SMILES notation for 11-amino-2,12,12-trimethyltridecan-1-ol?
The canonical SMILES for 11-amino-2,12,12-trimethyltridecan-1-ol is CC(CO)CCCCCCCCC(N)C(C)(C)C.
What is the InChIKey of 11-amino-2,12,12-trimethyltridecan-1-ol?
The InChIKey is LEBUCCNZOFTICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-14(13-18)11-9-7-5-6-8-10-12-15(17)16(2,3)4/h14-15,18H,5-13,17H2,1-4H3.
What are the key properties of 11-amino-2,12,12-trimethyltridecan-1-ol?
11-amino-2,12,12-trimethyltridecan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2,12,12-trimethyltridecan-1-ol is sourced from PubChem (CID 12941764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).