N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide

C8H18N4 — CID 163660233

IUPACN'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide
SMILESC/N=C(\N)C(=CNC)C(C)NC
InChIInChI=1S/C8H18N4/c1-6(11-3)7(5-10-2)8(9)12-4/h5-6,10-11H,1-4H3,(H2,9,12)
InChIKeyKBGVSZJIWAQXKQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.32
Rot. Bonds4

About N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide

N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide (PubChem CID 163660233) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide.

Molecular Properties

Compound NameN'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide
PubChem CID163660233
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide
SMILESC/N=C(\N)C(=CNC)C(C)NC
InChIInChI=1S/C8H18N4/c1-6(11-3)7(5-10-2)8(9)12-4/h5-6,10-11H,1-4H3,(H2,9,12)
InChIKeyKBGVSZJIWAQXKQ-UHFFFAOYSA-N
XLogP-0.32
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-3-(methylamino)-2-(methylaminomethylidene)butanimidamide?
The IUPAC name of N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide (CID 163660233) is N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide.
What is the SMILES notation for N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide?
The canonical SMILES for N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide is C/N=C(\N)C(=CNC)C(C)NC.
What is the InChIKey of N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide?
The InChIKey is KBGVSZJIWAQXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-6(11-3)7(5-10-2)8(9)12-4/h5-6,10-11H,1-4H3,(H2,9,12).
What are the key properties of N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide?
N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide has a molecular weight of 170.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide is sourced from PubChem (CID 163660233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).