1-N',3-N'-diethylpropanediimidamide

C7H16N4 — CID 12526538

IUPAC1-N',3-N'-diethylpropanediimidamide
SMILESCC/N=C(\N)C/C(N)=N/CC
InChIInChI=1S/C7H16N4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyLURLZBFFRGGLMT-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.13
Rot. Bonds4

About 1-N',3-N'-diethylpropanediimidamide

1-N',3-N'-diethylpropanediimidamide (PubChem CID 12526538) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-N',3-N'-diethylpropanediimidamide.

Molecular Properties

Compound Name1-N',3-N'-diethylpropanediimidamide
PubChem CID12526538
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name1-N',3-N'-diethylpropanediimidamide
SMILESCC/N=C(\N)C/C(N)=N/CC
InChIInChI=1S/C7H16N4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyLURLZBFFRGGLMT-UHFFFAOYSA-N
XLogP0.13
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.13
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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Related Compounds

1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide
CID 193831
5,6-Dihydrocytosine imine
CID 13206811
5-Methyl-5,6-dihydrocytosine imine
CID 129671850
N'-[3-(dimethylamino)propyl]propanimidamide
CID 3014537
(1E)-N'-Methylpropanimidamide
CID 22463764
N'-[3-(dimethylamino)propyl]ethanimidamide
CID 2776968
1-N',3-N'-dimethylpropanediimidamide
CID 12526536
3-amino-N'-methylpropanimidamide
CID 15816396
N'-ethylpropanimidamide
CID 17769889
N'-ethylbutanimidamide
CID 18952229
N'-butylpropanimidamide
CID 20432249
N'-propylethanimidamide
CID 21447199

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-diethylpropanediimidamide?
The IUPAC name of 1-N',3-N'-diethylpropanediimidamide (CID 12526538) is 1-N',3-N'-diethylpropanediimidamide.
What is the SMILES notation for 1-N',3-N'-diethylpropanediimidamide?
The canonical SMILES for 1-N',3-N'-diethylpropanediimidamide is CC/N=C(\N)C/C(N)=N/CC.
What is the InChIKey of 1-N',3-N'-diethylpropanediimidamide?
The InChIKey is LURLZBFFRGGLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of 1-N',3-N'-diethylpropanediimidamide?
1-N',3-N'-diethylpropanediimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-diethylpropanediimidamide is sourced from PubChem (CID 12526538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).