2-cyclopropylethanimidamide

C5H10N2 — CID 23104046

IUPAC2-cyclopropylethanimidamide
SMILES[H]/N=C(\N)CC1CC1
InChIInChI=1S/C5H10N2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H3,6,7)
InChIKeyQDKGGUVUUBZSOR-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.72
Rot. Bonds2

About 2-cyclopropylethanimidamide

2-cyclopropylethanimidamide (PubChem CID 23104046) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-cyclopropylethanimidamide.

Molecular Properties

Compound Name2-cyclopropylethanimidamide
PubChem CID23104046
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-cyclopropylethanimidamide
SMILES[H]/N=C(\N)CC1CC1
InChIInChI=1S/C5H10N2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H3,6,7)
InChIKeyQDKGGUVUUBZSOR-UHFFFAOYSA-N
XLogP0.72
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-cyclopropylethanimidamide?
The IUPAC name of 2-cyclopropylethanimidamide (CID 23104046) is 2-cyclopropylethanimidamide.
What is the SMILES notation for 2-cyclopropylethanimidamide?
The canonical SMILES for 2-cyclopropylethanimidamide is [H]/N=C(\N)CC1CC1.
What is the InChIKey of 2-cyclopropylethanimidamide?
The InChIKey is QDKGGUVUUBZSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H3,6,7).
What are the key properties of 2-cyclopropylethanimidamide?
2-cyclopropylethanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethanimidamide is sourced from PubChem (CID 23104046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).