1-aminooctacosan-11-ol

C28H59NO — CID 172994921

IUPAC1-aminooctacosan-11-ol
SMILESCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCN
InChIInChI=1S/C28H59NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28(30)26-23-20-17-14-15-18-21-24-27-29/h28,30H,2-27,29H2,1H3
InChIKeyCCZTZTHHAYUPHD-UHFFFAOYSA-N
MW425.79 g/mol
LogP9.08
Rot. Bonds26

About 1-aminooctacosan-11-ol

1-aminooctacosan-11-ol (PubChem CID 172994921) has the molecular formula C28H59NO and a molecular weight of 425.79 g/mol. Its IUPAC name is 1-aminooctacosan-11-ol.

Molecular Properties

Compound Name1-aminooctacosan-11-ol
PubChem CID172994921
Molecular FormulaC28H59NO
Molecular Weight425.79 g/mol
Exact Mass425.46
IUPAC Name1-aminooctacosan-11-ol
SMILESCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCN
InChIInChI=1S/C28H59NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28(30)26-23-20-17-14-15-18-21-24-27-29/h28,30H,2-27,29H2,1H3
InChIKeyCCZTZTHHAYUPHD-UHFFFAOYSA-N
XLogP9.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.79
LogP ≤ 59.08
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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Related Compounds

1-aminopentadecan-4-ol
CID 151480186
1-aminooctan-3-ol
CID 21436343
8-aminooctan-4-ol
CID 146035755
(3R)-1-aminooctan-3-ol
CID 22797502
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of 1-aminooctacosan-11-ol?
The IUPAC name of 1-aminooctacosan-11-ol (CID 172994921) is 1-aminooctacosan-11-ol.
What is the SMILES notation for 1-aminooctacosan-11-ol?
The canonical SMILES for 1-aminooctacosan-11-ol is CCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCN.
What is the InChIKey of 1-aminooctacosan-11-ol?
The InChIKey is CCZTZTHHAYUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28(30)26-23-20-17-14-15-18-21-24-27-29/h28,30H,2-27,29H2,1H3.
What are the key properties of 1-aminooctacosan-11-ol?
1-aminooctacosan-11-ol has a molecular weight of 425.79 g/mol, XLogP of 9.08, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooctacosan-11-ol is sourced from PubChem (CID 172994921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).