2-amino-2-(methylaminomethyl)propane-1,3-diol

C5H14N2O2 — CID 154814545

IUPAC2-amino-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(N)(CO)CO
InChIInChI=1S/C5H14N2O2/c1-7-2-5(6,3-8)4-9/h7-9H,2-4,6H2,1H3
InChIKeyBKUINFKWQJRBLJ-UHFFFAOYSA-N
MW134.18 g/mol
LogP-2.11
Rot. Bonds4

About 2-amino-2-(methylaminomethyl)propane-1,3-diol

2-amino-2-(methylaminomethyl)propane-1,3-diol (PubChem CID 154814545) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-amino-2-(methylaminomethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(methylaminomethyl)propane-1,3-diol
PubChem CID154814545
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name2-amino-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(N)(CO)CO
InChIInChI=1S/C5H14N2O2/c1-7-2-5(6,3-8)4-9/h7-9H,2-4,6H2,1H3
InChIKeyBKUINFKWQJRBLJ-UHFFFAOYSA-N
XLogP-2.11
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-(aminomethyl)propane-1,3-diol
CID 445365
2-[(1-Amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol
CID 18000625
1-[(1-Amino-2-hydroxypropan-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 20068435
2-Amino-3-(methylamino)butan-1-ol
CID 21416499
2-[2-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 22051438
2-Amino-1-(3-hydroxypropylamino)-2-methylpropane-1,3-diol
CID 22723559
3-Amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol
CID 54495668
2-Amino-3-(dimethylamino)-2-methylpropan-1-ol
CID 55289049
2-[(1-Hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol
CID 57017154
1,2-Diamino-2-methylpropane-1,3-diol
CID 57020880
3-Amino-2-methyl-2-(methylamino)butane-1,3-diol
CID 57044175
2-(Ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol
CID 57110979

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(methylaminomethyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(methylaminomethyl)propane-1,3-diol (CID 154814545) is 2-amino-2-(methylaminomethyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(methylaminomethyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(methylaminomethyl)propane-1,3-diol is CNCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-(methylaminomethyl)propane-1,3-diol?
The InChIKey is BKUINFKWQJRBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-7-2-5(6,3-8)4-9/h7-9H,2-4,6H2,1H3.
What are the key properties of 2-amino-2-(methylaminomethyl)propane-1,3-diol?
2-amino-2-(methylaminomethyl)propane-1,3-diol has a molecular weight of 134.18 g/mol, XLogP of -2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(methylaminomethyl)propane-1,3-diol is sourced from PubChem (CID 154814545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).