N-amino-N'-ethenylpropanimidamide

C5H11N3 — CID 88922372

IUPACN-amino-N'-ethenylpropanimidamide
SMILESC=C/N=C(\CC)NN
InChIInChI=1S/C5H11N3/c1-3-5(8-6)7-4-2/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyCBRYGVMXCVQHKF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds2

About N-amino-N'-ethenylpropanimidamide

N-amino-N'-ethenylpropanimidamide (PubChem CID 88922372) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-amino-N'-ethenylpropanimidamide.

Molecular Properties

Compound NameN-amino-N'-ethenylpropanimidamide
PubChem CID88922372
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-amino-N'-ethenylpropanimidamide
SMILESC=C/N=C(\CC)NN
InChIInChI=1S/C5H11N3/c1-3-5(8-6)7-4-2/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyCBRYGVMXCVQHKF-UHFFFAOYSA-N
XLogP0.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N'-ethenylpropanimidamide?
The IUPAC name of N-amino-N'-ethenylpropanimidamide (CID 88922372) is N-amino-N'-ethenylpropanimidamide.
What is the SMILES notation for N-amino-N'-ethenylpropanimidamide?
The canonical SMILES for N-amino-N'-ethenylpropanimidamide is C=C/N=C(\CC)NN.
What is the InChIKey of N-amino-N'-ethenylpropanimidamide?
The InChIKey is CBRYGVMXCVQHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-5(8-6)7-4-2/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of N-amino-N'-ethenylpropanimidamide?
N-amino-N'-ethenylpropanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethenylpropanimidamide is sourced from PubChem (CID 88922372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).