4-(2-ethylcyclohexyl)oxybenzenecarboximidamide

C15H22N2O — CID 43188248

IUPAC4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCCC2CC)cc1
InChIInChI=1S/C15H22N2O/c1-2-11-5-3-4-6-14(11)18-13-9-7-12(8-10-13)15(16)17/h7-11,14H,2-6H2,1H3,(H3,16,17)
InChIKeyNYKHSNTXDRYDRG-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.32
Rot. Bonds4

About 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide

4-(2-ethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 43188248) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID43188248
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCCC2CC)cc1
InChIInChI=1S/C15H22N2O/c1-2-11-5-3-4-6-14(11)18-13-9-7-12(8-10-13)15(16)17/h7-11,14H,2-6H2,1H3,(H3,16,17)
InChIKeyNYKHSNTXDRYDRG-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441
3-(2-ethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514051
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923
4-[4-(2-ethylcyclohexyl)oxyphenyl]but-3-yn-1-ol
CID 63862384
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 63094207
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
4-butoxybenzenecarboximidamide
CID 3015454
4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 64737284
1-(3-chloroprop-1-ynyl)-4-(2-ethylcyclohexyl)oxybenzene
CID 63862741
methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053537
4-octoxybenzenecarboximidamide
CID 3302492
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide (CID 43188248) is 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC2CCCCC2CC)cc1.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is NYKHSNTXDRYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-11-5-3-4-6-14(11)18-13-9-7-12(8-10-13)15(16)17/h7-11,14H,2-6H2,1H3,(H3,16,17).
What are the key properties of 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
4-(2-ethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 246.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 43188248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).