1-N',3-N'-dimethylpropanediimidamide

C5H12N4 — CID 12526536

IUPAC1-N',3-N'-dimethylpropanediimidamide
SMILESC/N=C(\N)C/C(N)=N/C
InChIInChI=1S/C5H12N4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3,(H2,6,8)(H2,7,9)
InChIKeyNGUWPCQTDJOXNB-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.65
Rot. Bonds2

About 1-N',3-N'-dimethylpropanediimidamide

1-N',3-N'-dimethylpropanediimidamide (PubChem CID 12526536) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-N',3-N'-dimethylpropanediimidamide.

Molecular Properties

Compound Name1-N',3-N'-dimethylpropanediimidamide
PubChem CID12526536
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name1-N',3-N'-dimethylpropanediimidamide
SMILESC/N=C(\N)C/C(N)=N/C
InChIInChI=1S/C5H12N4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3,(H2,6,8)(H2,7,9)
InChIKeyNGUWPCQTDJOXNB-UHFFFAOYSA-N
XLogP-0.65
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
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 1-N',3-N'-dimethylpropanediimidamide?
The IUPAC name of 1-N',3-N'-dimethylpropanediimidamide (CID 12526536) is 1-N',3-N'-dimethylpropanediimidamide.
What is the SMILES notation for 1-N',3-N'-dimethylpropanediimidamide?
The canonical SMILES for 1-N',3-N'-dimethylpropanediimidamide is C/N=C(\N)C/C(N)=N/C.
What is the InChIKey of 1-N',3-N'-dimethylpropanediimidamide?
The InChIKey is NGUWPCQTDJOXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3,(H2,6,8)(H2,7,9).
What are the key properties of 1-N',3-N'-dimethylpropanediimidamide?
1-N',3-N'-dimethylpropanediimidamide has a molecular weight of 128.18 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-dimethylpropanediimidamide is sourced from PubChem (CID 12526536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).