2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol

C12H27NO2 — CID 83144416

IUPAC2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol
SMILESCC(CNCC(C)(CO)CO)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(11(2,3)4)6-13-7-12(5,8-14)9-15/h10,13-15H,6-9H2,1-5H3
InChIKeyOSXDHLGUYHGKSV-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.25
Rot. Bonds6

About 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol

2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol (PubChem CID 83144416) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol
PubChem CID83144416
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol
SMILESCC(CNCC(C)(CO)CO)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(11(2,3)4)6-13-7-12(5,8-14)9-15/h10,13-15H,6-9H2,1-5H3
InChIKeyOSXDHLGUYHGKSV-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol (CID 83144416) is 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol is CC(CNCC(C)(CO)CO)C(C)(C)C.
What is the InChIKey of 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol?
The InChIKey is OSXDHLGUYHGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(11(2,3)4)6-13-7-12(5,8-14)9-15/h10,13-15H,6-9H2,1-5H3.
What are the key properties of 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol?
2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol has a molecular weight of 217.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol is sourced from PubChem (CID 83144416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).