(2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol

C14H27NO — CID 23427564

IUPAC(2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol
SMILESC=CCCCCCCC/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/h3,11-14,16H,1,4-10,15H2,2H3/b12-11+/t13-,14+/m1/s1
InChIKeyAKXWKMQPINMKAE-WLDGIZNKSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds10

About (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol

(2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol (PubChem CID 23427564) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol.

Molecular Properties

Compound Name(2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol
PubChem CID23427564
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol
SMILESC=CCCCCCCC/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/h3,11-14,16H,1,4-10,15H2,2H3/b12-11+/t13-,14+/m1/s1
InChIKeyAKXWKMQPINMKAE-WLDGIZNKSA-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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol?
The IUPAC name of (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol (CID 23427564) is (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol.
What is the SMILES notation for (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol?
The canonical SMILES for (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol is C=CCCCCCCC/C=C/[C@H](O)[C@@H](C)N.
What is the InChIKey of (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol?
The InChIKey is AKXWKMQPINMKAE-WLDGIZNKSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,11-14,16H,1,4-10,15H2,2H3/b12-11+/t13-,14+/m1/s1.
What are the key properties of (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol?
(2R,3S,4E)-2-aminotetradeca-4,13-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 (2R,3S,4E)-2-aminotetradeca-4,13-dien-3-ol is sourced from PubChem (CID 23427564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).