3-(ethenylamino)-N,N'-dimethylpropanimidamide

C7H15N3 — CID 135294306

IUPAC3-(ethenylamino)-N,N'-dimethylpropanimidamide
SMILESC=CNCC/C(=N/C)NC
InChIInChI=1S/C7H15N3/c1-4-10-6-5-7(8-2)9-3/h4,10H,1,5-6H2,2-3H3,(H,8,9)
InChIKeyVRLNNXCZCFKLHO-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.36
Rot. Bonds4

About 3-(ethenylamino)-N,N'-dimethylpropanimidamide

3-(ethenylamino)-N,N'-dimethylpropanimidamide (PubChem CID 135294306) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-(ethenylamino)-N,N'-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(ethenylamino)-N,N'-dimethylpropanimidamide
PubChem CID135294306
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-(ethenylamino)-N,N'-dimethylpropanimidamide
SMILESC=CNCC/C(=N/C)NC
InChIInChI=1S/C7H15N3/c1-4-10-6-5-7(8-2)9-3/h4,10H,1,5-6H2,2-3H3,(H,8,9)
InChIKeyVRLNNXCZCFKLHO-UHFFFAOYSA-N
XLogP0.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-(ethenylamino)-N,N'-dimethylpropanimidamide?
The IUPAC name of 3-(ethenylamino)-N,N'-dimethylpropanimidamide (CID 135294306) is 3-(ethenylamino)-N,N'-dimethylpropanimidamide.
What is the SMILES notation for 3-(ethenylamino)-N,N'-dimethylpropanimidamide?
The canonical SMILES for 3-(ethenylamino)-N,N'-dimethylpropanimidamide is C=CNCC/C(=N/C)NC.
What is the InChIKey of 3-(ethenylamino)-N,N'-dimethylpropanimidamide?
The InChIKey is VRLNNXCZCFKLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-10-6-5-7(8-2)9-3/h4,10H,1,5-6H2,2-3H3,(H,8,9).
What are the key properties of 3-(ethenylamino)-N,N'-dimethylpropanimidamide?
3-(ethenylamino)-N,N'-dimethylpropanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenylamino)-N,N'-dimethylpropanimidamide is sourced from PubChem (CID 135294306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).