(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol

C14H27NO — CID 11413472

IUPAC(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol
SMILESCCCCCC/C=C/C=C/C[C@H](O)[C@@H](C)N
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h8-11,13-14,16H,3-7,12,15H2,1-2H3/b9-8+,11-10+/t13-,14+/m1/s1
InChIKeyPPIVUDKXEACPOL-SPJREBBSSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds9

About (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol

(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol (PubChem CID 11413472) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol.

Molecular Properties

Compound Name(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol
PubChem CID11413472
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol
SMILESCCCCCC/C=C/C=C/C[C@H](O)[C@@H](C)N
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h8-11,13-14,16H,3-7,12,15H2,1-2H3/b9-8+,11-10+/t13-,14+/m1/s1
InChIKeyPPIVUDKXEACPOL-SPJREBBSSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol with MolForge

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Related Compounds

Clavaminol B
CID 44424869
Halaminol C
CID 11775924
Crucigasterin 277
CID 42608365
(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
CID 71770472
(2S,3S,5E,9Z)-2-aminohexadeca-5,9-dien-3-ol
CID 71770473
(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
CID 14756406
(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol
CID 46937367
(2S,3S,5E,9Z,12Z)-2-aminooctadeca-5,9,12-trien-3-ol
CID 46937368
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15-tetraen-3-ol
CID 23427562
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15,17-pentaen-3-ol
CID 23427563
(2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol
CID 23427564
(E,2S,3R)-2-Aminotetradec-5-en-3-ol
CID 134715060

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol?
The IUPAC name of (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol (CID 11413472) is (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol.
What is the SMILES notation for (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol?
The canonical SMILES for (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol is CCCCCC/C=C/C=C/C[C@H](O)[C@@H](C)N.
What is the InChIKey of (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol?
The InChIKey is PPIVUDKXEACPOL-SPJREBBSSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h8-11,13-14,16H,3-7,12,15H2,1-2H3/b9-8+,11-10+/t13-,14+/m1/s1.
What are the key properties of (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol?
(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol has a molecular weight of 225.38 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol is sourced from PubChem (CID 11413472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).