2-cyclobutylethanimidamide;hydrochloride

C6H13ClN2 — CID 71758532

IUPAC2-cyclobutylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC1CCC1
InChIInChI=1S/C6H12N2.ClH/c7-6(8)4-5-2-1-3-5;/h5H,1-4H2,(H3,7,8);1H
InChIKeyUAKHWVLZWMDIRH-UHFFFAOYSA-N
MW148.64 g/mol
LogP1.53
Rot. Bonds2

About 2-cyclobutylethanimidamide;hydrochloride

2-cyclobutylethanimidamide;hydrochloride (PubChem CID 71758532) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is 2-cyclobutylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-cyclobutylethanimidamide;hydrochloride
PubChem CID71758532
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name2-cyclobutylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC1CCC1
InChIInChI=1S/C6H12N2.ClH/c7-6(8)4-5-2-1-3-5;/h5H,1-4H2,(H3,7,8);1H
InChIKeyUAKHWVLZWMDIRH-UHFFFAOYSA-N
XLogP1.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 51.53
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-cyclobutylethanimidamide;hydrochloride?
The IUPAC name of 2-cyclobutylethanimidamide;hydrochloride (CID 71758532) is 2-cyclobutylethanimidamide;hydrochloride.
What is the SMILES notation for 2-cyclobutylethanimidamide;hydrochloride?
The canonical SMILES for 2-cyclobutylethanimidamide;hydrochloride is Cl.[H]/N=C(\N)CC1CCC1.
What is the InChIKey of 2-cyclobutylethanimidamide;hydrochloride?
The InChIKey is UAKHWVLZWMDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-6(8)4-5-2-1-3-5;/h5H,1-4H2,(H3,7,8);1H.
What are the key properties of 2-cyclobutylethanimidamide;hydrochloride?
2-cyclobutylethanimidamide;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethanimidamide;hydrochloride is sourced from PubChem (CID 71758532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).