1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide

C14H18N2O2 — CID 156538056

IUPAC1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide
SMILESN/C(=N\O)C1(c2ccc(OC3CCC3)cc2)CC1
InChIInChI=1S/C14H18N2O2/c15-13(16-17)14(8-9-14)10-4-6-12(7-5-10)18-11-2-1-3-11/h4-7,11,17H,1-3,8-9H2,(H2,15,16)
InChIKeyOEFFBFNRKMXTMY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide

1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide (PubChem CID 156538056) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide
PubChem CID156538056
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide
SMILESN/C(=N\O)C1(c2ccc(OC3CCC3)cc2)CC1
InChIInChI=1S/C14H18N2O2/c15-13(16-17)14(8-9-14)10-4-6-12(7-5-10)18-11-2-1-3-11/h4-7,11,17H,1-3,8-9H2,(H2,15,16)
InChIKeyOEFFBFNRKMXTMY-UHFFFAOYSA-N
XLogP2.40
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
1-[4-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117446527
2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
CID 24704646
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
4-cycloheptyloxybenzamide
CID 141109251
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
4-cycloheptyloxyphenol
CID 67178425
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 43188242
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide?
The IUPAC name of 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide (CID 156538056) is 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide.
What is the SMILES notation for 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide?
The canonical SMILES for 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide is N/C(=N\O)C1(c2ccc(OC3CCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide?
The InChIKey is OEFFBFNRKMXTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-13(16-17)14(8-9-14)10-4-6-12(7-5-10)18-11-2-1-3-11/h4-7,11,17H,1-3,8-9H2,(H2,15,16).
What are the key properties of 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide?
1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide has a molecular weight of 246.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyloxyphenyl)-N'-hydroxycyclopropane-1-carboximidamide is sourced from PubChem (CID 156538056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).