2-amino-2-(16-aminohexadecyl)propane-1,3-diol

C19H42N2O2 — CID 89415252

IUPAC2-amino-2-(16-aminohexadecyl)propane-1,3-diol
SMILESNCCCCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C19H42N2O2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(21,17-22)18-23/h22-23H,1-18,20-21H2
InChIKeyBIWUBJQHRDRUIO-UHFFFAOYSA-N
MW330.56 g/mol
LogP3.48
Rot. Bonds18

About 2-amino-2-(16-aminohexadecyl)propane-1,3-diol

2-amino-2-(16-aminohexadecyl)propane-1,3-diol (PubChem CID 89415252) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-amino-2-(16-aminohexadecyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(16-aminohexadecyl)propane-1,3-diol
PubChem CID89415252
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Name2-amino-2-(16-aminohexadecyl)propane-1,3-diol
SMILESNCCCCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C19H42N2O2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(21,17-22)18-23/h22-23H,1-18,20-21H2
InChIKeyBIWUBJQHRDRUIO-UHFFFAOYSA-N
XLogP3.48
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(16-aminohexadecyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(16-aminohexadecyl)propane-1,3-diol (CID 89415252) is 2-amino-2-(16-aminohexadecyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(16-aminohexadecyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(16-aminohexadecyl)propane-1,3-diol is NCCCCCCCCCCCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-(16-aminohexadecyl)propane-1,3-diol?
The InChIKey is BIWUBJQHRDRUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(21,17-22)18-23/h22-23H,1-18,20-21H2.
What are the key properties of 2-amino-2-(16-aminohexadecyl)propane-1,3-diol?
2-amino-2-(16-aminohexadecyl)propane-1,3-diol has a molecular weight of 330.56 g/mol, XLogP of 3.48, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(16-aminohexadecyl)propane-1,3-diol is sourced from PubChem (CID 89415252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).