3-ethyliminopropanimidamide

C5H11N3 — CID 123918170

IUPAC3-ethyliminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/CC
InChIInChI=1S/C5H11N3/c1-2-8-4-3-5(6)7/h4H,2-3H2,1H3,(H3,6,7)/b8-4+
InChIKeyKJBOQVSSTVQMQT-XBXARRHUSA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds3

About 3-ethyliminopropanimidamide

3-ethyliminopropanimidamide (PubChem CID 123918170) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-ethyliminopropanimidamide.

Molecular Properties

Compound Name3-ethyliminopropanimidamide
PubChem CID123918170
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name3-ethyliminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/CC
InChIInChI=1S/C5H11N3/c1-2-8-4-3-5(6)7/h4H,2-3H2,1H3,(H3,6,7)/b8-4+
InChIKeyKJBOQVSSTVQMQT-XBXARRHUSA-N
XLogP0.40
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': '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-ethyliminopropanimidamide?
The IUPAC name of 3-ethyliminopropanimidamide (CID 123918170) is 3-ethyliminopropanimidamide.
What is the SMILES notation for 3-ethyliminopropanimidamide?
The canonical SMILES for 3-ethyliminopropanimidamide is [H]/N=C(\N)C/C=N/CC.
What is the InChIKey of 3-ethyliminopropanimidamide?
The InChIKey is KJBOQVSSTVQMQT-XBXARRHUSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-8-4-3-5(6)7/h4H,2-3H2,1H3,(H3,6,7)/b8-4+.
What are the key properties of 3-ethyliminopropanimidamide?
3-ethyliminopropanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyliminopropanimidamide is sourced from PubChem (CID 123918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).