1-(tert-butylamino)hexadecan-2-ol

C20H43NO — CID 21271308

IUPAC1-(tert-butylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNC(C)(C)C
InChIInChI=1S/C20H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)18-21-20(2,3)4/h19,21-22H,5-18H2,1-4H3
InChIKeyFNHJEIQLRBLCAL-UHFFFAOYSA-N
MW313.57 g/mol
LogP5.83
Rot. Bonds15

About 1-(tert-butylamino)hexadecan-2-ol

1-(tert-butylamino)hexadecan-2-ol (PubChem CID 21271308) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 1-(tert-butylamino)hexadecan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)hexadecan-2-ol
PubChem CID21271308
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name1-(tert-butylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNC(C)(C)C
InChIInChI=1S/C20H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)18-21-20(2,3)4/h19,21-22H,5-18H2,1-4H3
InChIKeyFNHJEIQLRBLCAL-UHFFFAOYSA-N
XLogP5.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 55.83
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 1-(tert-butylamino)hexadecan-2-ol?
The IUPAC name of 1-(tert-butylamino)hexadecan-2-ol (CID 21271308) is 1-(tert-butylamino)hexadecan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)hexadecan-2-ol?
The canonical SMILES for 1-(tert-butylamino)hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)hexadecan-2-ol?
The InChIKey is FNHJEIQLRBLCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)18-21-20(2,3)4/h19,21-22H,5-18H2,1-4H3.
What are the key properties of 1-(tert-butylamino)hexadecan-2-ol?
1-(tert-butylamino)hexadecan-2-ol has a molecular weight of 313.57 g/mol, XLogP of 5.83, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)hexadecan-2-ol is sourced from PubChem (CID 21271308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).