1,24-diaminotetracosane-2,23-diol

C24H52N2O2 — CID 175286632

IUPAC1,24-diaminotetracosane-2,23-diol
SMILESNCC(O)CCCCCCCCCCCCCCCCCCCCC(O)CN
InChIInChI=1S/C24H52N2O2/c25-21-23(27)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-24(28)22-26/h23-24,27-28H,1-22,25-26H2
InChIKeyYQMXHTARTODHKV-UHFFFAOYSA-N
MW400.69 g/mol
LogP5.43
Rot. Bonds23

About 1,24-diaminotetracosane-2,23-diol

1,24-diaminotetracosane-2,23-diol (PubChem CID 175286632) has the molecular formula C24H52N2O2 and a molecular weight of 400.69 g/mol. Its IUPAC name is 1,24-diaminotetracosane-2,23-diol.

Molecular Properties

Compound Name1,24-diaminotetracosane-2,23-diol
PubChem CID175286632
Molecular FormulaC24H52N2O2
Molecular Weight400.69 g/mol
Exact Mass400.40
IUPAC Name1,24-diaminotetracosane-2,23-diol
SMILESNCC(O)CCCCCCCCCCCCCCCCCCCCC(O)CN
InChIInChI=1S/C24H52N2O2/c25-21-23(27)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-24(28)22-26/h23-24,27-28H,1-22,25-26H2
InChIKeyYQMXHTARTODHKV-UHFFFAOYSA-N
XLogP5.43
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.69
LogP ≤ 55.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-aminohenicosan-2-ol
CID 88605177
(2R)-1-aminooctan-2-ol
CID 13476237
1-aminotetradecan-2-ol;sulfuric acid
CID 158919972
1-aminoheptan-2-ol;phosphoric acid
CID 174932535
6-aminohexane-1,2,5-triol
CID 19694623
CID 175729762
CID 175729762
dodecane-1,2,11,12-tetrol
CID 71392430
1-aminooctacosan-11-ol
CID 172994921
1-aminopentadecan-4-ol
CID 151480186
(2R)-1-aminohex-5-yn-2-ol
CID 97030752
hexacosane-1,8,19,26-tetrol
CID 167004997
heptacosane-1,10,27-triol
CID 56980866

Frequently Asked Questions

What is the IUPAC name of 1,24-diaminotetracosane-2,23-diol?
The IUPAC name of 1,24-diaminotetracosane-2,23-diol (CID 175286632) is 1,24-diaminotetracosane-2,23-diol.
What is the SMILES notation for 1,24-diaminotetracosane-2,23-diol?
The canonical SMILES for 1,24-diaminotetracosane-2,23-diol is NCC(O)CCCCCCCCCCCCCCCCCCCCC(O)CN.
What is the InChIKey of 1,24-diaminotetracosane-2,23-diol?
The InChIKey is YQMXHTARTODHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O2/c25-21-23(27)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-24(28)22-26/h23-24,27-28H,1-22,25-26H2.
What are the key properties of 1,24-diaminotetracosane-2,23-diol?
1,24-diaminotetracosane-2,23-diol has a molecular weight of 400.69 g/mol, XLogP of 5.43, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,24-diaminotetracosane-2,23-diol is sourced from PubChem (CID 175286632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).