2-(cycloheptyloxymethyl)benzenecarboximidamide

C15H22N2O — CID 61070841

IUPAC2-(cycloheptyloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COC1CCCCCC1
InChIInChI=1S/C15H22N2O/c16-15(17)14-10-6-5-7-12(14)11-18-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11H2,(H3,16,17)
InChIKeyJHXQFVZWKPJPLO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.21
Rot. Bonds4

About 2-(cycloheptyloxymethyl)benzenecarboximidamide

2-(cycloheptyloxymethyl)benzenecarboximidamide (PubChem CID 61070841) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)benzenecarboximidamide
PubChem CID61070841
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(cycloheptyloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COC1CCCCCC1
InChIInChI=1S/C15H22N2O/c16-15(17)14-10-6-5-7-12(14)11-18-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11H2,(H3,16,17)
InChIKeyJHXQFVZWKPJPLO-UHFFFAOYSA-N
XLogP3.21
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.21
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-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
CID 107118103
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724
cyclohexyl 2-carbamimidoylbenzoate
CID 154364021
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
3-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118212
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 107118111
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 80502922
3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118117
3-(cyclopentyloxymethyl)-2-fluorobenzenecarbothioamide
CID 107115985
2-[2-[(1S,3R)-3-[2-(2-carbamimidoylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
CID 175997207

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)benzenecarboximidamide?
The IUPAC name of 2-(cycloheptyloxymethyl)benzenecarboximidamide (CID 61070841) is 2-(cycloheptyloxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(cycloheptyloxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-(cycloheptyloxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1COC1CCCCCC1.
What is the InChIKey of 2-(cycloheptyloxymethyl)benzenecarboximidamide?
The InChIKey is JHXQFVZWKPJPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-15(17)14-10-6-5-7-12(14)11-18-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11H2,(H3,16,17).
What are the key properties of 2-(cycloheptyloxymethyl)benzenecarboximidamide?
2-(cycloheptyloxymethyl)benzenecarboximidamide has a molecular weight of 246.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 61070841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).