2-cyclopropylethanimidamide;hydrochloride

C5H11ClN2 — CID 57460333

IUPAC2-cyclopropylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC1CC1
InChIInChI=1S/C5H10N2.ClH/c6-5(7)3-4-1-2-4;/h4H,1-3H2,(H3,6,7);1H
InChIKeyZBEXMSIXOAUELM-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.14
Rot. Bonds2

About 2-cyclopropylethanimidamide;hydrochloride

2-cyclopropylethanimidamide;hydrochloride (PubChem CID 57460333) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-cyclopropylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopropylethanimidamide;hydrochloride
PubChem CID57460333
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name2-cyclopropylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC1CC1
InChIInChI=1S/C5H10N2.ClH/c6-5(7)3-4-1-2-4;/h4H,1-3H2,(H3,6,7);1H
InChIKeyZBEXMSIXOAUELM-UHFFFAOYSA-N
XLogP1.14
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.14
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;hydrochloride?
The IUPAC name of 2-cyclopropylethanimidamide;hydrochloride (CID 57460333) is 2-cyclopropylethanimidamide;hydrochloride.
What is the SMILES notation for 2-cyclopropylethanimidamide;hydrochloride?
The canonical SMILES for 2-cyclopropylethanimidamide;hydrochloride is Cl.[H]/N=C(\N)CC1CC1.
What is the InChIKey of 2-cyclopropylethanimidamide;hydrochloride?
The InChIKey is ZBEXMSIXOAUELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c6-5(7)3-4-1-2-4;/h4H,1-3H2,(H3,6,7);1H.
What are the key properties of 2-cyclopropylethanimidamide;hydrochloride?
2-cyclopropylethanimidamide;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethanimidamide;hydrochloride is sourced from PubChem (CID 57460333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).