2-aminotetradeca-11,13-dien-3-ol

C14H27NO — CID 72738941

IUPAC2-aminotetradeca-11,13-dien-3-ol
SMILESC=CC=CCCCCCCCC(O)C(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
InChIKeyPDPUNMLGRNINFK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds10

About 2-aminotetradeca-11,13-dien-3-ol

2-aminotetradeca-11,13-dien-3-ol (PubChem CID 72738941) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-aminotetradeca-11,13-dien-3-ol.

Molecular Properties

Compound Name2-aminotetradeca-11,13-dien-3-ol
PubChem CID72738941
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-aminotetradeca-11,13-dien-3-ol
SMILESC=CC=CCCCCCCCC(O)C(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
InChIKeyPDPUNMLGRNINFK-UHFFFAOYSA-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'}

Analyze 2-aminotetradeca-11,13-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

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 2-aminotetradeca-11,13-dien-3-ol?
The IUPAC name of 2-aminotetradeca-11,13-dien-3-ol (CID 72738941) is 2-aminotetradeca-11,13-dien-3-ol.
What is the SMILES notation for 2-aminotetradeca-11,13-dien-3-ol?
The canonical SMILES for 2-aminotetradeca-11,13-dien-3-ol is C=CC=CCCCCCCCC(O)C(C)N.
What is the InChIKey of 2-aminotetradeca-11,13-dien-3-ol?
The InChIKey is PDPUNMLGRNINFK-UHFFFAOYSA-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.
What are the key properties of 2-aminotetradeca-11,13-dien-3-ol?
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 2-aminotetradeca-11,13-dien-3-ol is sourced from PubChem (CID 72738941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).