(E,2S,3R)-2-aminotetradec-11-en-3-ol

C14H29NO — CID 14756402

IUPAC(E,2S,3R)-2-aminotetradec-11-en-3-ol
SMILESCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h4-5,13-14,16H,3,6-12,15H2,1-2H3/b5-4+/t13-,14+/m0/s1
InChIKeyBVWZJMSWYIKRNF-OOPLNXAUSA-N
MW227.39 g/mol
LogP3.39
Rot. Bonds10

About (E,2S,3R)-2-aminotetradec-11-en-3-ol

(E,2S,3R)-2-aminotetradec-11-en-3-ol (PubChem CID 14756402) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (E,2S,3R)-2-aminotetradec-11-en-3-ol.

Molecular Properties

Compound Name(E,2S,3R)-2-aminotetradec-11-en-3-ol
PubChem CID14756402
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(E,2S,3R)-2-aminotetradec-11-en-3-ol
SMILESCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h4-5,13-14,16H,3,6-12,15H2,1-2H3/b5-4+/t13-,14+/m0/s1
InChIKeyBVWZJMSWYIKRNF-OOPLNXAUSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-2-aminotetradec-11-en-3-ol?
The IUPAC name of (E,2S,3R)-2-aminotetradec-11-en-3-ol (CID 14756402) is (E,2S,3R)-2-aminotetradec-11-en-3-ol.
What is the SMILES notation for (E,2S,3R)-2-aminotetradec-11-en-3-ol?
The canonical SMILES for (E,2S,3R)-2-aminotetradec-11-en-3-ol is CC/C=C/CCCCCCC[C@@H](O)[C@H](C)N.
What is the InChIKey of (E,2S,3R)-2-aminotetradec-11-en-3-ol?
The InChIKey is BVWZJMSWYIKRNF-OOPLNXAUSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h4-5,13-14,16H,3,6-12,15H2,1-2H3/b5-4+/t13-,14+/m0/s1.
What are the key properties of (E,2S,3R)-2-aminotetradec-11-en-3-ol?
(E,2S,3R)-2-aminotetradec-11-en-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-2-aminotetradec-11-en-3-ol is sourced from PubChem (CID 14756402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).