(2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol

C16H31NO — CID 101101126

IUPAC(2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol
SMILESC=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1
InChIKeyPKCDBAJESFUNQJ-BUWFCSEKSA-N
MW253.43 g/mol
LogP3.95
Rot. Bonds12

About (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol

(2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol (PubChem CID 101101126) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol.

Molecular Properties

Compound Name(2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol
PubChem CID101101126
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol
SMILESC=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1
InChIKeyPKCDBAJESFUNQJ-BUWFCSEKSA-N
XLogP3.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.95
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 (2S,3R,11E)-2-aminohexadeca-11,15-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 (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol?
The IUPAC name of (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol (CID 101101126) is (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol.
What is the SMILES notation for (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol?
The canonical SMILES for (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol is C=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N.
What is the InChIKey of (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol?
The InChIKey is PKCDBAJESFUNQJ-BUWFCSEKSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1.
What are the key properties of (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol?
(2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol has a molecular weight of 253.43 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,11E)-2-aminohexadeca-11,15-dien-3-ol is sourced from PubChem (CID 101101126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).