N'-amino-2-methyl-N-(methylideneamino)propanimidamide

C5H12N4 — CID 89187991

IUPACN'-amino-2-methyl-N-(methylideneamino)propanimidamide
SMILESC=NN/C(=N\N)C(C)C
InChIInChI=1S/C5H12N4/c1-4(2)5(8-6)9-7-3/h4H,3,6H2,1-2H3,(H,8,9)
InChIKeyGXQZTRJMBSNHBT-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.12
Rot. Bonds2

About N'-amino-2-methyl-N-(methylideneamino)propanimidamide

N'-amino-2-methyl-N-(methylideneamino)propanimidamide (PubChem CID 89187991) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is N'-amino-2-methyl-N-(methylideneamino)propanimidamide.

Molecular Properties

Compound NameN'-amino-2-methyl-N-(methylideneamino)propanimidamide
PubChem CID89187991
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC NameN'-amino-2-methyl-N-(methylideneamino)propanimidamide
SMILESC=NN/C(=N\N)C(C)C
InChIInChI=1S/C5H12N4/c1-4(2)5(8-6)9-7-3/h4H,3,6H2,1-2H3,(H,8,9)
InChIKeyGXQZTRJMBSNHBT-UHFFFAOYSA-N
XLogP0.12
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-methyl-N-(methylideneamino)propanimidamide?
The IUPAC name of N'-amino-2-methyl-N-(methylideneamino)propanimidamide (CID 89187991) is N'-amino-2-methyl-N-(methylideneamino)propanimidamide.
What is the SMILES notation for N'-amino-2-methyl-N-(methylideneamino)propanimidamide?
The canonical SMILES for N'-amino-2-methyl-N-(methylideneamino)propanimidamide is C=NN/C(=N\N)C(C)C.
What is the InChIKey of N'-amino-2-methyl-N-(methylideneamino)propanimidamide?
The InChIKey is GXQZTRJMBSNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c1-4(2)5(8-6)9-7-3/h4H,3,6H2,1-2H3,(H,8,9).
What are the key properties of N'-amino-2-methyl-N-(methylideneamino)propanimidamide?
N'-amino-2-methyl-N-(methylideneamino)propanimidamide has a molecular weight of 128.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-methyl-N-(methylideneamino)propanimidamide is sourced from PubChem (CID 89187991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).