4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide

C15H22N2O — CID 64737284

IUPAC4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)9-14(8-10)18-13-5-3-12(4-6-13)15(16)17/h3-6,10-11,14H,7-9H2,1-2H3,(H3,16,17)
InChIKeyXHSRECIYRXDJLX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.17
Rot. Bonds3

About 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide

4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 64737284) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID64737284
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)9-14(8-10)18-13-5-3-12(4-6-13)15(16)17/h3-6,10-11,14H,7-9H2,1-2H3,(H3,16,17)
InChIKeyXHSRECIYRXDJLX-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
CID 64736917
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483806
4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
4-aminooxybenzenecarboximidamide
CID 10441869
4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 43188248
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
4-aminobenzenecarboximidamide;ethane
CID 142339418
(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
CID 64736309
5-(4-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 113321289
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide (CID 64737284) is 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC2CC(C)CC(C)C2)cc1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is XHSRECIYRXDJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(2)9-14(8-10)18-13-5-3-12(4-6-13)15(16)17/h3-6,10-11,14H,7-9H2,1-2H3,(H3,16,17).
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide?
4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 246.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 64737284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).