3-(2,2,4-trimethylpentylamino)propane-1,2-diol

C11H25NO2 — CID 115122474

IUPAC3-(2,2,4-trimethylpentylamino)propane-1,2-diol
SMILESCC(C)CC(C)(C)CNCC(O)CO
InChIInChI=1S/C11H25NO2/c1-9(2)5-11(3,4)8-12-6-10(14)7-13/h9-10,12-14H,5-8H2,1-4H3
InChIKeyRBOBWFBMPOYWGQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.00
Rot. Bonds7

About 3-(2,2,4-trimethylpentylamino)propane-1,2-diol

3-(2,2,4-trimethylpentylamino)propane-1,2-diol (PubChem CID 115122474) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(2,2,4-trimethylpentylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,2,4-trimethylpentylamino)propane-1,2-diol
PubChem CID115122474
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(2,2,4-trimethylpentylamino)propane-1,2-diol
SMILESCC(C)CC(C)(C)CNCC(O)CO
InChIInChI=1S/C11H25NO2/c1-9(2)5-11(3,4)8-12-6-10(14)7-13/h9-10,12-14H,5-8H2,1-4H3
InChIKeyRBOBWFBMPOYWGQ-UHFFFAOYSA-N
XLogP1.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4-trimethylpentylamino)propane-1,2-diol?
The IUPAC name of 3-(2,2,4-trimethylpentylamino)propane-1,2-diol (CID 115122474) is 3-(2,2,4-trimethylpentylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2,2,4-trimethylpentylamino)propane-1,2-diol?
The canonical SMILES for 3-(2,2,4-trimethylpentylamino)propane-1,2-diol is CC(C)CC(C)(C)CNCC(O)CO.
What is the InChIKey of 3-(2,2,4-trimethylpentylamino)propane-1,2-diol?
The InChIKey is RBOBWFBMPOYWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)5-11(3,4)8-12-6-10(14)7-13/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 3-(2,2,4-trimethylpentylamino)propane-1,2-diol?
3-(2,2,4-trimethylpentylamino)propane-1,2-diol has a molecular weight of 203.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4-trimethylpentylamino)propane-1,2-diol is sourced from PubChem (CID 115122474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).