2-(tert-butylamino)-2-methylpropane-1,3-diol

C8H19NO2 — CID 58959508

IUPAC2-(tert-butylamino)-2-methylpropane-1,3-diol
SMILESCC(C)(C)NC(C)(CO)CO
InChIInChI=1S/C8H19NO2/c1-7(2,3)9-8(4,5-10)6-11/h9-11H,5-6H2,1-4H3
InChIKeyKJKYTHGPSHCTBA-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.12
Rot. Bonds3

About 2-(tert-butylamino)-2-methylpropane-1,3-diol

2-(tert-butylamino)-2-methylpropane-1,3-diol (PubChem CID 58959508) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(tert-butylamino)-2-methylpropane-1,3-diol
PubChem CID58959508
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-(tert-butylamino)-2-methylpropane-1,3-diol
SMILESCC(C)(C)NC(C)(CO)CO
InChIInChI=1S/C8H19NO2/c1-7(2,3)9-8(4,5-10)6-11/h9-11H,5-6H2,1-4H3
InChIKeyKJKYTHGPSHCTBA-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(tert-butylamino)-2-methylpropane-1,3-diol (CID 58959508) is 2-(tert-butylamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(tert-butylamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(tert-butylamino)-2-methylpropane-1,3-diol is CC(C)(C)NC(C)(CO)CO.
What is the InChIKey of 2-(tert-butylamino)-2-methylpropane-1,3-diol?
The InChIKey is KJKYTHGPSHCTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2,3)9-8(4,5-10)6-11/h9-11H,5-6H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-2-methylpropane-1,3-diol?
2-(tert-butylamino)-2-methylpropane-1,3-diol has a molecular weight of 161.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-methylpropane-1,3-diol is sourced from PubChem (CID 58959508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).