N'-methylpropanimidamide

C4H10N2 — CID 22463764

IUPACN'-methylpropanimidamide
SMILESCC/C(N)=N\C
InChIInChI=1S/C4H10N2/c1-3-4(5)6-2/h3H2,1-2H3,(H2,5,6)
InChIKeySVKQJKDFMLYPSM-UHFFFAOYSA-N
MW86.14 g/mol
LogP0.38
Rot. Bonds1

About N'-methylpropanimidamide

N'-methylpropanimidamide (PubChem CID 22463764) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is N'-methylpropanimidamide.

Molecular Properties

Compound NameN'-methylpropanimidamide
PubChem CID22463764
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC NameN'-methylpropanimidamide
SMILESCC/C(N)=N\C
InChIInChI=1S/C4H10N2/c1-3-4(5)6-2/h3H2,1-2H3,(H2,5,6)
InChIKeySVKQJKDFMLYPSM-UHFFFAOYSA-N
XLogP0.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-methylpropanimidamide?
The IUPAC name of N'-methylpropanimidamide (CID 22463764) is N'-methylpropanimidamide.
What is the SMILES notation for N'-methylpropanimidamide?
The canonical SMILES for N'-methylpropanimidamide is CC/C(N)=N\C.
What is the InChIKey of N'-methylpropanimidamide?
The InChIKey is SVKQJKDFMLYPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c1-3-4(5)6-2/h3H2,1-2H3,(H2,5,6).
What are the key properties of N'-methylpropanimidamide?
N'-methylpropanimidamide has a molecular weight of 86.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylpropanimidamide is sourced from PubChem (CID 22463764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).