N'-methyl-2-methyliminobut-3-enimidamide

C6H11N3 — CID 123747287

IUPACN'-methyl-2-methyliminobut-3-enimidamide
SMILESC=CC(=N\C)/C(N)=N/C
InChIInChI=1S/C6H11N3/c1-4-5(8-2)6(7)9-3/h4H,1H2,2-3H3,(H2,7,9)/b8-5+
InChIKeyIKDIPOPNNHISSD-VMPITWQZSA-N
MW125.17 g/mol
LogP0.23
Rot. Bonds2

About N'-methyl-2-methyliminobut-3-enimidamide

N'-methyl-2-methyliminobut-3-enimidamide (PubChem CID 123747287) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-methyl-2-methyliminobut-3-enimidamide.

Molecular Properties

Compound NameN'-methyl-2-methyliminobut-3-enimidamide
PubChem CID123747287
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-methyl-2-methyliminobut-3-enimidamide
SMILESC=CC(=N\C)/C(N)=N/C
InChIInChI=1S/C6H11N3/c1-4-5(8-2)6(7)9-3/h4H,1H2,2-3H3,(H2,7,9)/b8-5+
InChIKeyIKDIPOPNNHISSD-VMPITWQZSA-N
XLogP0.23
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.23
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 N'-methyl-2-methyliminobut-3-enimidamide?
The IUPAC name of N'-methyl-2-methyliminobut-3-enimidamide (CID 123747287) is N'-methyl-2-methyliminobut-3-enimidamide.
What is the SMILES notation for N'-methyl-2-methyliminobut-3-enimidamide?
The canonical SMILES for N'-methyl-2-methyliminobut-3-enimidamide is C=CC(=N\C)/C(N)=N/C.
What is the InChIKey of N'-methyl-2-methyliminobut-3-enimidamide?
The InChIKey is IKDIPOPNNHISSD-VMPITWQZSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(8-2)6(7)9-3/h4H,1H2,2-3H3,(H2,7,9)/b8-5+.
What are the key properties of N'-methyl-2-methyliminobut-3-enimidamide?
N'-methyl-2-methyliminobut-3-enimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methyliminobut-3-enimidamide is sourced from PubChem (CID 123747287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).