2-aminotetradec-13-en-3-ol

C14H29NO — CID 85107080

IUPAC2-aminotetradec-13-en-3-ol
SMILESC=CCCCCCCCCCC(O)C(C)N
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3
InChIKeyKLWPMNOQFSPVII-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.39
Rot. Bonds11

About 2-aminotetradec-13-en-3-ol

2-aminotetradec-13-en-3-ol (PubChem CID 85107080) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-aminotetradec-13-en-3-ol.

Molecular Properties

Compound Name2-aminotetradec-13-en-3-ol
PubChem CID85107080
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-aminotetradec-13-en-3-ol
SMILESC=CCCCCCCCCCC(O)C(C)N
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3
InChIKeyKLWPMNOQFSPVII-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.39
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'}

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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
(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
(2R,3S,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
CID 192514
Leucettamine A (lipid)
CID 6443693
(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
CID 14756406
(Z,2R,3R)-2-aminohenicos-12-ene-1,3-diol
CID 146311960
(E)-2-aminooctadec-8-ene-1,3-diol
CID 14135864

Frequently Asked Questions

What is the IUPAC name of 2-aminotetradec-13-en-3-ol?
The IUPAC name of 2-aminotetradec-13-en-3-ol (CID 85107080) is 2-aminotetradec-13-en-3-ol.
What is the SMILES notation for 2-aminotetradec-13-en-3-ol?
The canonical SMILES for 2-aminotetradec-13-en-3-ol is C=CCCCCCCCCCC(O)C(C)N.
What is the InChIKey of 2-aminotetradec-13-en-3-ol?
The InChIKey is KLWPMNOQFSPVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3.
What are the key properties of 2-aminotetradec-13-en-3-ol?
2-aminotetradec-13-en-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminotetradec-13-en-3-ol is sourced from PubChem (CID 85107080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).