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

C16H33NO — CID 134715064

IUPAC(E,2S,3R)-2-aminohexadec-11-en-3-ol
SMILESCCCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h6-7,15-16,18H,3-5,8-14,17H2,1-2H3/b7-6+/t15-,16+/m0/s1
InChIKeyQNWQYXJJIAXWKD-BUWFCSEKSA-N
MW255.45 g/mol
LogP4.17
Rot. Bonds12

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

(E,2S,3R)-2-aminohexadec-11-en-3-ol (PubChem CID 134715064) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (E,2S,3R)-2-aminohexadec-11-en-3-ol.

Molecular Properties

Compound Name(E,2S,3R)-2-aminohexadec-11-en-3-ol
PubChem CID134715064
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(E,2S,3R)-2-aminohexadec-11-en-3-ol
SMILESCCCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h6-7,15-16,18H,3-5,8-14,17H2,1-2H3/b7-6+/t15-,16+/m0/s1
InChIKeyQNWQYXJJIAXWKD-BUWFCSEKSA-N
XLogP4.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.17
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-2-aminohexadec-11-en-3-ol?
The IUPAC name of (E,2S,3R)-2-aminohexadec-11-en-3-ol (CID 134715064) is (E,2S,3R)-2-aminohexadec-11-en-3-ol.
What is the SMILES notation for (E,2S,3R)-2-aminohexadec-11-en-3-ol?
The canonical SMILES for (E,2S,3R)-2-aminohexadec-11-en-3-ol is CCCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N.
What is the InChIKey of (E,2S,3R)-2-aminohexadec-11-en-3-ol?
The InChIKey is QNWQYXJJIAXWKD-BUWFCSEKSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h6-7,15-16,18H,3-5,8-14,17H2,1-2H3/b7-6+/t15-,16+/m0/s1.
What are the key properties of (E,2S,3R)-2-aminohexadec-11-en-3-ol?
(E,2S,3R)-2-aminohexadec-11-en-3-ol has a molecular weight of 255.45 g/mol, XLogP of 4.17, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-2-aminohexadec-11-en-3-ol is sourced from PubChem (CID 134715064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).