(2R)-2-methoxy-N'-methylpropanimidamide

C5H12N2O — CID 124512055

IUPAC(2R)-2-methoxy-N'-methylpropanimidamide
SMILESC/N=C(\N)[C@@H](C)OC
InChIInChI=1S/C5H12N2O/c1-4(8-3)5(6)7-2/h4H,1-3H3,(H2,6,7)/t4-/m1/s1
InChIKeyPLWUPFGAJXCPSH-SCSAIBSYSA-N
MW116.16 g/mol
LogP0.01
Rot. Bonds2

About (2R)-2-methoxy-N'-methylpropanimidamide

(2R)-2-methoxy-N'-methylpropanimidamide (PubChem CID 124512055) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R)-2-methoxy-N'-methylpropanimidamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N'-methylpropanimidamide
PubChem CID124512055
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(2R)-2-methoxy-N'-methylpropanimidamide
SMILESC/N=C(\N)[C@@H](C)OC
InChIInChI=1S/C5H12N2O/c1-4(8-3)5(6)7-2/h4H,1-3H3,(H2,6,7)/t4-/m1/s1
InChIKeyPLWUPFGAJXCPSH-SCSAIBSYSA-N
XLogP0.01
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N'-methylpropanimidamide?
The IUPAC name of (2R)-2-methoxy-N'-methylpropanimidamide (CID 124512055) is (2R)-2-methoxy-N'-methylpropanimidamide.
What is the SMILES notation for (2R)-2-methoxy-N'-methylpropanimidamide?
The canonical SMILES for (2R)-2-methoxy-N'-methylpropanimidamide is C/N=C(\N)[C@@H](C)OC.
What is the InChIKey of (2R)-2-methoxy-N'-methylpropanimidamide?
The InChIKey is PLWUPFGAJXCPSH-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(8-3)5(6)7-2/h4H,1-3H3,(H2,6,7)/t4-/m1/s1.
What are the key properties of (2R)-2-methoxy-N'-methylpropanimidamide?
(2R)-2-methoxy-N'-methylpropanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N'-methylpropanimidamide is sourced from PubChem (CID 124512055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).