3-amino-2-methyl-2-(methylamino)butane-1,3-diol

C6H16N2O2 — CID 57044175

IUPAC3-amino-2-methyl-2-(methylamino)butane-1,3-diol
SMILESCNC(C)(CO)C(C)(N)O
InChIInChI=1S/C6H16N2O2/c1-5(4-9,8-3)6(2,7)10/h8-10H,4,7H2,1-3H3
InChIKeyUXDPSTMTVLGDNM-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.38
Rot. Bonds3

About 3-amino-2-methyl-2-(methylamino)butane-1,3-diol

3-amino-2-methyl-2-(methylamino)butane-1,3-diol (PubChem CID 57044175) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-amino-2-methyl-2-(methylamino)butane-1,3-diol.

Molecular Properties

Compound Name3-amino-2-methyl-2-(methylamino)butane-1,3-diol
PubChem CID57044175
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name3-amino-2-methyl-2-(methylamino)butane-1,3-diol
SMILESCNC(C)(CO)C(C)(N)O
InChIInChI=1S/C6H16N2O2/c1-5(4-9,8-3)6(2,7)10/h8-10H,4,7H2,1-3H3
InChIKeyUXDPSTMTVLGDNM-UHFFFAOYSA-N
XLogP-1.38
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-2-(methoxymethylamino)propane-1,3-diol
CID 20751108
2-Amino-1-(3-hydroxypropylamino)-2-methylpropane-1,3-diol
CID 22723559
1-Amino-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 54069004
2-[(1-Amino-1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 57004602
2-(Ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol
CID 57110979
1-Amino-2-ethyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1,3-diol
CID 57193948
3-Amino-2-(2-aminoethyl)-2-(methylamino)butane-1,3-diol
CID 88195925
1-Amino-2-[[1-[bis(2-hydroxyethyl)amino]-1,3-dihydroxy-2-methylpropan-2-yl]amino]-2-ethylpropane-1,3-diol
CID 88391733
2,3-Bis(methylamino)butane-1,3-diol
CID 88416879
2-Amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol
CID 88540222
2-Amino-2-(hydroxymethyl)-1-(2-hydroxypropylamino)propane-1,3-diol
CID 88753544
2-[(2-Amino-2-methylpropyl)amino]-2-ethylpropane-1,3-diol
CID 89669355

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-2-(methylamino)butane-1,3-diol?
The IUPAC name of 3-amino-2-methyl-2-(methylamino)butane-1,3-diol (CID 57044175) is 3-amino-2-methyl-2-(methylamino)butane-1,3-diol.
What is the SMILES notation for 3-amino-2-methyl-2-(methylamino)butane-1,3-diol?
The canonical SMILES for 3-amino-2-methyl-2-(methylamino)butane-1,3-diol is CNC(C)(CO)C(C)(N)O.
What is the InChIKey of 3-amino-2-methyl-2-(methylamino)butane-1,3-diol?
The InChIKey is UXDPSTMTVLGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-5(4-9,8-3)6(2,7)10/h8-10H,4,7H2,1-3H3.
What are the key properties of 3-amino-2-methyl-2-(methylamino)butane-1,3-diol?
3-amino-2-methyl-2-(methylamino)butane-1,3-diol has a molecular weight of 148.21 g/mol, XLogP of -1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-2-(methylamino)butane-1,3-diol is sourced from PubChem (CID 57044175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).