3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide

C15H22N2O2 — CID 103567631

IUPAC3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCC2CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-18-13-7-12(15(16)17)8-14(9-13)19-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H3,16,17)
InChIKeyHUFBCGHUPMOGNH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.94
Rot. Bonds5

About 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide

3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide (PubChem CID 103567631) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
PubChem CID103567631
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCC2CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-18-13-7-12(15(16)17)8-14(9-13)19-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H3,16,17)
InChIKeyHUFBCGHUPMOGNH-UHFFFAOYSA-N
XLogP2.94
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.94
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'}

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Related Compounds

3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
(2R)-2-(4-carbamimidoylanilino)-2-[3-(cyclohexylmethoxy)-5-ethoxyphenyl]acetic acid
CID 57312993
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide?
The IUPAC name of 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide (CID 103567631) is 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide?
The canonical SMILES for 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide?
The InChIKey is HUFBCGHUPMOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-13-7-12(15(16)17)8-14(9-13)19-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H3,16,17).
What are the key properties of 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide?
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide has a molecular weight of 262.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 103567631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).