2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol

C6H15N2O2- — CID 170258036

IUPAC2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol
SMILESCNC(C)(CO)CN(C)[O-]
InChIInChI=1S/C6H15N2O2/c1-6(5-9,7-2)4-8(3)10/h7,9H,4-5H2,1-3H3/q-1
InChIKeyMTYBJJAHHVFRTN-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.61
Rot. Bonds4

About 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol

2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol (PubChem CID 170258036) has the molecular formula C6H15N2O2- and a molecular weight of 147.20 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol
PubChem CID170258036
Molecular FormulaC6H15N2O2-
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Name2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol
SMILESCNC(C)(CO)CN(C)[O-]
InChIInChI=1S/C6H15N2O2/c1-6(5-9,7-2)4-8(3)10/h7,9H,4-5H2,1-3H3/q-1
InChIKeyMTYBJJAHHVFRTN-UHFFFAOYSA-N
XLogP-0.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol (CID 170258036) is 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol is CNC(C)(CO)CN(C)[O-].
What is the InChIKey of 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol?
The InChIKey is MTYBJJAHHVFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O2/c1-6(5-9,7-2)4-8(3)10/h7,9H,4-5H2,1-3H3/q-1.
What are the key properties of 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol?
2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol has a molecular weight of 147.20 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-[methyl(oxido)amino]propan-1-ol is sourced from PubChem (CID 170258036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).