1-N'-methyl-3-N'-(methylamino)propanediimidamide

C5H13N5 — CID 163951189

IUPAC1-N'-methyl-3-N'-(methylamino)propanediimidamide
SMILESC/N=C(\N)CC(N)=NNC
InChIInChI=1S/C5H13N5/c1-8-4(6)3-5(7)10-9-2/h9H,3H2,1-2H3,(H2,6,8)(H2,7,10)
InChIKeyRZLOWGXOUNVESO-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.14
Rot. Bonds3

About 1-N'-methyl-3-N'-(methylamino)propanediimidamide

1-N'-methyl-3-N'-(methylamino)propanediimidamide (PubChem CID 163951189) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-N'-methyl-3-N'-(methylamino)propanediimidamide.

Molecular Properties

Compound Name1-N'-methyl-3-N'-(methylamino)propanediimidamide
PubChem CID163951189
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC Name1-N'-methyl-3-N'-(methylamino)propanediimidamide
SMILESC/N=C(\N)CC(N)=NNC
InChIInChI=1S/C5H13N5/c1-8-4(6)3-5(7)10-9-2/h9H,3H2,1-2H3,(H2,6,8)(H2,7,10)
InChIKeyRZLOWGXOUNVESO-UHFFFAOYSA-N
XLogP-1.14
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.14
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-3-N'-(methylamino)propanediimidamide?
The IUPAC name of 1-N'-methyl-3-N'-(methylamino)propanediimidamide (CID 163951189) is 1-N'-methyl-3-N'-(methylamino)propanediimidamide.
What is the SMILES notation for 1-N'-methyl-3-N'-(methylamino)propanediimidamide?
The canonical SMILES for 1-N'-methyl-3-N'-(methylamino)propanediimidamide is C/N=C(\N)CC(N)=NNC.
What is the InChIKey of 1-N'-methyl-3-N'-(methylamino)propanediimidamide?
The InChIKey is RZLOWGXOUNVESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5/c1-8-4(6)3-5(7)10-9-2/h9H,3H2,1-2H3,(H2,6,8)(H2,7,10).
What are the key properties of 1-N'-methyl-3-N'-(methylamino)propanediimidamide?
1-N'-methyl-3-N'-(methylamino)propanediimidamide has a molecular weight of 143.19 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-3-N'-(methylamino)propanediimidamide is sourced from PubChem (CID 163951189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).