3-methoxycyclobutane-1-carboximidamide;hydrochloride

C6H13ClN2O — CID 105432531

IUPAC3-methoxycyclobutane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC(OC)C1
InChIInChI=1S/C6H12N2O.ClH/c1-9-5-2-4(3-5)6(7)8;/h4-5H,2-3H2,1H3,(H3,7,8);1H
InChIKeyUGWQFHFIABKPJX-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.77
Rot. Bonds2

About 3-methoxycyclobutane-1-carboximidamide;hydrochloride

3-methoxycyclobutane-1-carboximidamide;hydrochloride (PubChem CID 105432531) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 3-methoxycyclobutane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methoxycyclobutane-1-carboximidamide;hydrochloride
PubChem CID105432531
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name3-methoxycyclobutane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC(OC)C1
InChIInChI=1S/C6H12N2O.ClH/c1-9-5-2-4(3-5)6(7)8;/h4-5H,2-3H2,1H3,(H3,7,8);1H
InChIKeyUGWQFHFIABKPJX-UHFFFAOYSA-N
XLogP0.77
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.77
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-methoxycyclobutane-1-carboximidamide;hydrochloride?
The IUPAC name of 3-methoxycyclobutane-1-carboximidamide;hydrochloride (CID 105432531) is 3-methoxycyclobutane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-methoxycyclobutane-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-methoxycyclobutane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1CC(OC)C1.
What is the InChIKey of 3-methoxycyclobutane-1-carboximidamide;hydrochloride?
The InChIKey is UGWQFHFIABKPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-9-5-2-4(3-5)6(7)8;/h4-5H,2-3H2,1H3,(H3,7,8);1H.
What are the key properties of 3-methoxycyclobutane-1-carboximidamide;hydrochloride?
3-methoxycyclobutane-1-carboximidamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclobutane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 105432531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).