(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol

C14H25NO — CID 71770472

IUPAC(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
SMILESC=CCCCC/C=C/C=C/C[C@H](O)[C@H](C)N
InChIInChI=1S/C14H25NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,8-11,13-14,16H,1,4-7,12,15H2,2H3/b9-8+,11-10+/t13-,14-/m0/s1
InChIKeyCBRBQXWPAPFJPP-UNJVXHDRSA-N
MW223.36 g/mol
LogP2.94
Rot. Bonds9

About (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol

(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol (PubChem CID 71770472) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol.

Molecular Properties

Compound Name(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
PubChem CID71770472
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
SMILESC=CCCCC/C=C/C=C/C[C@H](O)[C@H](C)N
InChIInChI=1S/C14H25NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,8-11,13-14,16H,1,4-7,12,15H2,2H3/b9-8+,11-10+/t13-,14-/m0/s1
InChIKeyCBRBQXWPAPFJPP-UNJVXHDRSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol?
The IUPAC name of (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol (CID 71770472) is (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol.
What is the SMILES notation for (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol?
The canonical SMILES for (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol is C=CCCCC/C=C/C=C/C[C@H](O)[C@H](C)N.
What is the InChIKey of (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol?
The InChIKey is CBRBQXWPAPFJPP-UNJVXHDRSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,8-11,13-14,16H,1,4-7,12,15H2,2H3/b9-8+,11-10+/t13-,14-/m0/s1.
What are the key properties of (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol?
(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol is sourced from PubChem (CID 71770472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).