(4S,5S)-4-aminotridecan-5-ol

C13H29NO — CID 10584805

IUPAC(4S,5S)-4-aminotridecan-5-ol
SMILESCCCCCCCC[C@H](O)[C@@H](N)CCC
InChIInChI=1S/C13H29NO/c1-3-5-6-7-8-9-11-13(15)12(14)10-4-2/h12-13,15H,3-11,14H2,1-2H3/t12-,13-/m0/s1
InChIKeyCBJNPUYVJTZVGT-STQMWFEESA-N
MW215.38 g/mol
LogP3.23
Rot. Bonds10

About (4S,5S)-4-aminotridecan-5-ol

(4S,5S)-4-aminotridecan-5-ol (PubChem CID 10584805) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (4S,5S)-4-aminotridecan-5-ol.

Molecular Properties

Compound Name(4S,5S)-4-aminotridecan-5-ol
PubChem CID10584805
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(4S,5S)-4-aminotridecan-5-ol
SMILESCCCCCCCC[C@H](O)[C@@H](N)CCC
InChIInChI=1S/C13H29NO/c1-3-5-6-7-8-9-11-13(15)12(14)10-4-2/h12-13,15H,3-11,14H2,1-2H3/t12-,13-/m0/s1
InChIKeyCBJNPUYVJTZVGT-STQMWFEESA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.23
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

13-aminoheptacosan-12-ol
CID 118194809
10,18-diaminooctadecan-9-ol
CID 19842914
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
3-aminononane-1,4-diol
CID 87704254
1-aminooctadecane-1,2-diol
CID 54498715
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
4-amino-2-methylundecan-5-ol
CID 72805371
pentadecane-4,5-diol
CID 103454846
hexadecane-4,5-diamine
CID 57310882
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-aminotridecan-5-ol?
The IUPAC name of (4S,5S)-4-aminotridecan-5-ol (CID 10584805) is (4S,5S)-4-aminotridecan-5-ol.
What is the SMILES notation for (4S,5S)-4-aminotridecan-5-ol?
The canonical SMILES for (4S,5S)-4-aminotridecan-5-ol is CCCCCCCC[C@H](O)[C@@H](N)CCC.
What is the InChIKey of (4S,5S)-4-aminotridecan-5-ol?
The InChIKey is CBJNPUYVJTZVGT-STQMWFEESA-N. The full InChI is InChI=1S/C13H29NO/c1-3-5-6-7-8-9-11-13(15)12(14)10-4-2/h12-13,15H,3-11,14H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (4S,5S)-4-aminotridecan-5-ol?
(4S,5S)-4-aminotridecan-5-ol has a molecular weight of 215.38 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-aminotridecan-5-ol is sourced from PubChem (CID 10584805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).