2-methyl-1-(methylamino)propan-1-olate

C5H12NO- — CID 162405675

IUPAC2-methyl-1-(methylamino)propan-1-olate
SMILESCNC([O-])C(C)C
InChIInChI=1S/C5H12NO/c1-4(2)5(7)6-3/h4-6H,1-3H3/q-1
InChIKeyPGQFLMGJRNGIHD-UHFFFAOYSA-N
MW102.16 g/mol
LogP-0.45
Rot. Bonds2

About 2-methyl-1-(methylamino)propan-1-olate

2-methyl-1-(methylamino)propan-1-olate (PubChem CID 162405675) has the molecular formula C5H12NO- and a molecular weight of 102.16 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)propan-1-olate.

Molecular Properties

Compound Name2-methyl-1-(methylamino)propan-1-olate
PubChem CID162405675
Molecular FormulaC5H12NO-
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Name2-methyl-1-(methylamino)propan-1-olate
SMILESCNC([O-])C(C)C
InChIInChI=1S/C5H12NO/c1-4(2)5(7)6-3/h4-6H,1-3H3/q-1
InChIKeyPGQFLMGJRNGIHD-UHFFFAOYSA-N
XLogP-0.45
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)propan-1-olate?
The IUPAC name of 2-methyl-1-(methylamino)propan-1-olate (CID 162405675) is 2-methyl-1-(methylamino)propan-1-olate.
What is the SMILES notation for 2-methyl-1-(methylamino)propan-1-olate?
The canonical SMILES for 2-methyl-1-(methylamino)propan-1-olate is CNC([O-])C(C)C.
What is the InChIKey of 2-methyl-1-(methylamino)propan-1-olate?
The InChIKey is PGQFLMGJRNGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO/c1-4(2)5(7)6-3/h4-6H,1-3H3/q-1.
What are the key properties of 2-methyl-1-(methylamino)propan-1-olate?
2-methyl-1-(methylamino)propan-1-olate has a molecular weight of 102.16 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)propan-1-olate is sourced from PubChem (CID 162405675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).