20-amino-20-hydroxyicosanal

C20H41NO2 — CID 89131353

IUPAC20-amino-20-hydroxyicosanal
SMILESNC(O)CCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C20H41NO2/c21-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22/h19-20,23H,1-18,21H2
InChIKeyMAWWRRJDQGQGEF-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.48
Rot. Bonds19

About 20-amino-20-hydroxyicosanal

20-amino-20-hydroxyicosanal (PubChem CID 89131353) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 20-amino-20-hydroxyicosanal.

Molecular Properties

Compound Name20-amino-20-hydroxyicosanal
PubChem CID89131353
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name20-amino-20-hydroxyicosanal
SMILESNC(O)CCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C20H41NO2/c21-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22/h19-20,23H,1-18,21H2
InChIKeyMAWWRRJDQGQGEF-UHFFFAOYSA-N
XLogP5.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

12-hydroxytridecanal
CID 11961599
8-aminodecanal
CID 173156180
12-hydroxytetradecanal
CID 90714775
pentadecanedial
CID 22887412
22-methyltricosanal
CID 86049143
12-methyltridecanal
CID 146297718
18-methylnonadecanal
CID 22123977
1,6-diaminohexan-1-ol
CID 57008257
methane;12-methyltridecanal
CID 175307429
6-hydroxydecanal
CID 86178467
1-aminohexadecan-1-ol
CID 21475561
CID 20816022
CID 20816022

Frequently Asked Questions

What is the IUPAC name of 20-amino-20-hydroxyicosanal?
The IUPAC name of 20-amino-20-hydroxyicosanal (CID 89131353) is 20-amino-20-hydroxyicosanal.
What is the SMILES notation for 20-amino-20-hydroxyicosanal?
The canonical SMILES for 20-amino-20-hydroxyicosanal is NC(O)CCCCCCCCCCCCCCCCCCC=O.
What is the InChIKey of 20-amino-20-hydroxyicosanal?
The InChIKey is MAWWRRJDQGQGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c21-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22/h19-20,23H,1-18,21H2.
What are the key properties of 20-amino-20-hydroxyicosanal?
20-amino-20-hydroxyicosanal has a molecular weight of 327.55 g/mol, XLogP of 5.48, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-amino-20-hydroxyicosanal is sourced from PubChem (CID 89131353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).