5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide

C15H22N2O — CID 114017325

IUPAC5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OC1CCC(C)CC1
InChIInChI=1S/C15H22N2O/c1-10-3-6-12(7-4-10)18-14-8-5-11(2)9-13(14)15(16)17/h5,8-10,12H,3-4,6-7H2,1-2H3,(H3,16,17)
InChIKeyXCDVOEFCRXEHQE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.24
Rot. Bonds3

About 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide

5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 114017325) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID114017325
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OC1CCC(C)CC1
InChIInChI=1S/C15H22N2O/c1-10-3-6-12(7-4-10)18-14-8-5-11(2)9-13(14)15(16)17/h5,8-10,12H,3-4,6-7H2,1-2H3,(H3,16,17)
InChIKeyXCDVOEFCRXEHQE-UHFFFAOYSA-N
XLogP3.24
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.24
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

5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
CID 107930837
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77052870
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide (CID 114017325) is 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1OC1CCC(C)CC1.
What is the InChIKey of 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is XCDVOEFCRXEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-3-6-12(7-4-10)18-14-8-5-11(2)9-13(14)15(16)17/h5,8-10,12H,3-4,6-7H2,1-2H3,(H3,16,17).
What are the key properties of 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 246.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 114017325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).