14-aminohexacosane-13,13-diol

C26H55NO2 — CID 19607501

IUPAC14-aminohexacosane-13,13-diol
SMILESCCCCCCCCCCCCC(N)C(O)(O)CCCCCCCCCCCC
InChIInChI=1S/C26H55NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25(27)26(28,29)24-22-20-18-16-14-12-10-8-6-4-2/h25,28-29H,3-24,27H2,1-2H3
InChIKeyQSZPSNZQLUOYGG-UHFFFAOYSA-N
MW413.73 g/mol
LogP7.62
Rot. Bonds23

About 14-aminohexacosane-13,13-diol

14-aminohexacosane-13,13-diol (PubChem CID 19607501) has the molecular formula C26H55NO2 and a molecular weight of 413.73 g/mol. Its IUPAC name is 14-aminohexacosane-13,13-diol.

Molecular Properties

Compound Name14-aminohexacosane-13,13-diol
PubChem CID19607501
Molecular FormulaC26H55NO2
Molecular Weight413.73 g/mol
Exact Mass413.42
IUPAC Name14-aminohexacosane-13,13-diol
SMILESCCCCCCCCCCCCC(N)C(O)(O)CCCCCCCCCCCC
InChIInChI=1S/C26H55NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25(27)26(28,29)24-22-20-18-16-14-12-10-8-6-4-2/h25,28-29H,3-24,27H2,1-2H3
InChIKeyQSZPSNZQLUOYGG-UHFFFAOYSA-N
XLogP7.62
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 57.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-aminoheptane-1,1,1-triol
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15-tetradecyltriacontane-15,16-diamine
CID 129286411
2-methyldecane-2,3-diamine
CID 87934186
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
4,5-diaminodecan-5-ol
CID 155745471
5-butyl-5-ethylhenicosan-6-amine
CID 87754040
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-chlorohenicosane-3,3-diol
CID 141136567

Frequently Asked Questions

What is the IUPAC name of 14-aminohexacosane-13,13-diol?
The IUPAC name of 14-aminohexacosane-13,13-diol (CID 19607501) is 14-aminohexacosane-13,13-diol.
What is the SMILES notation for 14-aminohexacosane-13,13-diol?
The canonical SMILES for 14-aminohexacosane-13,13-diol is CCCCCCCCCCCCC(N)C(O)(O)CCCCCCCCCCCC.
What is the InChIKey of 14-aminohexacosane-13,13-diol?
The InChIKey is QSZPSNZQLUOYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25(27)26(28,29)24-22-20-18-16-14-12-10-8-6-4-2/h25,28-29H,3-24,27H2,1-2H3.
What are the key properties of 14-aminohexacosane-13,13-diol?
14-aminohexacosane-13,13-diol has a molecular weight of 413.73 g/mol, XLogP of 7.62, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-aminohexacosane-13,13-diol is sourced from PubChem (CID 19607501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).