2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol

C13H29NO2 — CID 19890052

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCC(C)CN(CC(C)C)CC(C)(CO)CO
InChIInChI=1S/C13H29NO2/c1-11(2)6-14(7-12(3)4)8-13(5,9-15)10-16/h11-12,15-16H,6-10H2,1-5H3
InChIKeyINXRGEVRMJFXSS-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.59
Rot. Bonds8

About 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol

2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol (PubChem CID 19890052) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol
PubChem CID19890052
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCC(C)CN(CC(C)C)CC(C)(CO)CO
InChIInChI=1S/C13H29NO2/c1-11(2)6-14(7-12(3)4)8-13(5,9-15)10-16/h11-12,15-16H,6-10H2,1-5H3
InChIKeyINXRGEVRMJFXSS-UHFFFAOYSA-N
XLogP1.59
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol (CID 19890052) is 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol is CC(C)CN(CC(C)C)CC(C)(CO)CO.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is INXRGEVRMJFXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-11(2)6-14(7-12(3)4)8-13(5,9-15)10-16/h11-12,15-16H,6-10H2,1-5H3.
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol?
2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 231.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 19890052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).