2-amino-2-decylpropane-1,3-diol

C13H29NO2 — CID 10633304

IUPAC2-amino-2-decylpropane-1,3-diol
SMILESCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-9-10-13(14,11-15)12-16/h15-16H,2-12,14H2,1H3
InChIKeySISCNWJENSMCII-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.20
Rot. Bonds11

About 2-amino-2-decylpropane-1,3-diol

2-amino-2-decylpropane-1,3-diol (PubChem CID 10633304) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-amino-2-decylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-decylpropane-1,3-diol
PubChem CID10633304
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-amino-2-decylpropane-1,3-diol
SMILESCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-9-10-13(14,11-15)12-16/h15-16H,2-12,14H2,1H3
InChIKeySISCNWJENSMCII-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-decylpropane-1,3-diol?
The IUPAC name of 2-amino-2-decylpropane-1,3-diol (CID 10633304) is 2-amino-2-decylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-decylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-decylpropane-1,3-diol is CCCCCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-decylpropane-1,3-diol?
The InChIKey is SISCNWJENSMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-9-10-13(14,11-15)12-16/h15-16H,2-12,14H2,1H3.
What are the key properties of 2-amino-2-decylpropane-1,3-diol?
2-amino-2-decylpropane-1,3-diol has a molecular weight of 231.38 g/mol, XLogP of 2.20, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-decylpropane-1,3-diol is sourced from PubChem (CID 10633304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).