2-amino-2-methylpropane-1,3-diol;azane

C4H14N2O2 — CID 172847501

IUPAC2-amino-2-methylpropane-1,3-diol;azane
SMILESCC(N)(CO)CO.N
InChIInChI=1S/C4H11NO2.H3N/c1-4(5,2-6)3-7;/h6-7H,2-3,5H2,1H3;1H3
InChIKeyXPWVSFSMBHITSR-UHFFFAOYSA-N
MW122.17 g/mol
LogP-1.15
Rot. Bonds2

About 2-amino-2-methylpropane-1,3-diol;azane

2-amino-2-methylpropane-1,3-diol;azane (PubChem CID 172847501) has the molecular formula C4H14N2O2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol;azane.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol;azane
PubChem CID172847501
Molecular FormulaC4H14N2O2
Molecular Weight122.17 g/mol
Exact Mass122.11
IUPAC Name2-amino-2-methylpropane-1,3-diol;azane
SMILESCC(N)(CO)CO.N
InChIInChI=1S/C4H11NO2.H3N/c1-4(5,2-6)3-7;/h6-7H,2-3,5H2,1H3;1H3
InChIKeyXPWVSFSMBHITSR-UHFFFAOYSA-N
XLogP-1.15
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol;azane?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol;azane (CID 172847501) is 2-amino-2-methylpropane-1,3-diol;azane.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol;azane?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol;azane is CC(N)(CO)CO.N.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol;azane?
The InChIKey is XPWVSFSMBHITSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.H3N/c1-4(5,2-6)3-7;/h6-7H,2-3,5H2,1H3;1H3.
What are the key properties of 2-amino-2-methylpropane-1,3-diol;azane?
2-amino-2-methylpropane-1,3-diol;azane has a molecular weight of 122.17 g/mol, XLogP of -1.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol;azane is sourced from PubChem (CID 172847501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).