(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol

C14H27NO — CID 14756406

IUPAC(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
SMILESC=C/C=C/CCCCCCC[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/h3-5,13-14,16H,1,6-12,15H2,2H3/b5-4+/t13-,14+/m0/s1
InChIKeyPDPUNMLGRNINFK-OOPLNXAUSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds10

About (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol

(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol (PubChem CID 14756406) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol.

Molecular Properties

Compound Name(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
PubChem CID14756406
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
SMILESC=C/C=C/CCCCCCC[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/h3-5,13-14,16H,1,6-12,15H2,2H3/b5-4+/t13-,14+/m0/s1
InChIKeyPDPUNMLGRNINFK-OOPLNXAUSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
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'}

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Related Compounds

Halaminol A
CID 10059639
Clavaminol B
CID 44424869
Xetoaminol A
CID 14756402
Leucettamol A
CID 9984898
Halaminol B
CID 10013009
Halaminol C
CID 11775924
(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol
CID 10562206
(2R,3S,5Z,8Z,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
CID 44570361
(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
CID 71770472
(9z)-2-Amino-docos-9-ene-1,3,13,14-tetraol
CID 129850883
(2R,3S,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
CID 192514
Leucettamine A (lipid)
CID 6443693

Frequently Asked Questions

What is the IUPAC name of (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol?
The IUPAC name of (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol (CID 14756406) is (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol.
What is the SMILES notation for (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol?
The canonical SMILES for (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol is C=C/C=C/CCCCCCC[C@@H](O)[C@H](C)N.
What is the InChIKey of (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol?
The InChIKey is PDPUNMLGRNINFK-OOPLNXAUSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3-5,13-14,16H,1,6-12,15H2,2H3/b5-4+/t13-,14+/m0/s1.
What are the key properties of (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol?
(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol has a molecular weight of 225.38 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol is sourced from PubChem (CID 14756406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).