3-ethoxycyclobutane-1-carboximidamide;hydrochloride

C7H15ClN2O — CID 105437788

IUPAC3-ethoxycyclobutane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC(OCC)C1
InChIInChI=1S/C7H14N2O.ClH/c1-2-10-6-3-5(4-6)7(8)9;/h5-6H,2-4H2,1H3,(H3,8,9);1H
InChIKeyMEOQCQYWQBCYJR-UHFFFAOYSA-N
MW178.66 g/mol
LogP1.16
Rot. Bonds3

About 3-ethoxycyclobutane-1-carboximidamide;hydrochloride

3-ethoxycyclobutane-1-carboximidamide;hydrochloride (PubChem CID 105437788) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 3-ethoxycyclobutane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-ethoxycyclobutane-1-carboximidamide;hydrochloride
PubChem CID105437788
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name3-ethoxycyclobutane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC(OCC)C1
InChIInChI=1S/C7H14N2O.ClH/c1-2-10-6-3-5(4-6)7(8)9;/h5-6H,2-4H2,1H3,(H3,8,9);1H
InChIKeyMEOQCQYWQBCYJR-UHFFFAOYSA-N
XLogP1.16
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 51.16
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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Related Compounds

3-methoxycyclobutane-1-carboximidamide;hydrochloride
CID 105432531
3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride
CID 126619101
3-fluorocyclobutane-1-carboximidamide
CID 83853924
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide
CID 103166323
N-(diaminomethylidene)-4-ethoxypiperidine-1-carboximidamide
CID 83031921
ethane;1-ethoxy-3-methylcyclobutane
CID 169190771
3-ethoxy-6-azabicyclo[3.1.1]heptane
CID 169176949
2-(3-ethoxycyclobutyl)-1,1-diethylguanidine
CID 122098565
3,4-dimethylcyclohexane-1-carboximidamide
CID 64740369
3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine
CID 123211095

Frequently Asked Questions

What is the IUPAC name of 3-ethoxycyclobutane-1-carboximidamide;hydrochloride?
The IUPAC name of 3-ethoxycyclobutane-1-carboximidamide;hydrochloride (CID 105437788) is 3-ethoxycyclobutane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-ethoxycyclobutane-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-ethoxycyclobutane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1CC(OCC)C1.
What is the InChIKey of 3-ethoxycyclobutane-1-carboximidamide;hydrochloride?
The InChIKey is MEOQCQYWQBCYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-2-10-6-3-5(4-6)7(8)9;/h5-6H,2-4H2,1H3,(H3,8,9);1H.
What are the key properties of 3-ethoxycyclobutane-1-carboximidamide;hydrochloride?
3-ethoxycyclobutane-1-carboximidamide;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycyclobutane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 105437788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).