(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol

C20H33NO — CID 165388962

IUPAC(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol
SMILESCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C(\N)O
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-19,22H,2-10,21H2,1H3/b12-11+,14-13+,16-15+,18-17+,20-19+
InChIKeyAYIKIKCOCKMKNQ-KJTFIQBESA-N
MW303.49 g/mol
LogP6.10
Rot. Bonds13

About (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol

(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol (PubChem CID 165388962) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol.

Molecular Properties

Compound Name(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol
PubChem CID165388962
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol
SMILESCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C(\N)O
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-19,22H,2-10,21H2,1H3/b12-11+,14-13+,16-15+,18-17+,20-19+
InChIKeyAYIKIKCOCKMKNQ-KJTFIQBESA-N
XLogP6.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 165175383
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CID 169003273
(22E)-heptatetraconta-22,24-diene
CID 56629131
2-hydroxyhenicosa-2,4,6,8-tetraenoic acid
CID 175806020
2-ethylhexadeca-2,4,6-trienoic acid
CID 175162220
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248
(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 173206740
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol?
The IUPAC name of (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol (CID 165388962) is (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol.
What is the SMILES notation for (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol?
The canonical SMILES for (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol is CCCCCCCCCC/C=C/C=C/C=C/C=C/C=C(\N)O.
What is the InChIKey of (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol?
The InChIKey is AYIKIKCOCKMKNQ-KJTFIQBESA-N. The full InChI is InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-19,22H,2-10,21H2,1H3/b12-11+,14-13+,16-15+,18-17+,20-19+.
What are the key properties of (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol?
(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol has a molecular weight of 303.49 g/mol, XLogP of 6.10, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol is sourced from PubChem (CID 165388962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).