2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide

C15H22N2O2 — CID 107930837

IUPAC2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OC1CCCC(OC)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-7-14(13(8-10)15(16)17)19-12-5-3-4-11(9-12)18-2/h6-8,11-12H,3-5,9H2,1-2H3,(H3,16,17)
InChIKeyUBCCDNMZTWWXGW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.62
Rot. Bonds4

About 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide

2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide (PubChem CID 107930837) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
PubChem CID107930837
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OC1CCCC(OC)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-7-14(13(8-10)15(16)17)19-12-5-3-4-11(9-12)18-2/h6-8,11-12H,3-5,9H2,1-2H3,(H3,16,17)
InChIKeyUBCCDNMZTWWXGW-UHFFFAOYSA-N
XLogP2.62
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.62
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'}

Analyze 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
2-(3,4-dimethylcyclohexyl)oxy-5-methylbenzenecarbothioamide
CID 107929610
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
CID 114904900
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide (CID 107930837) is 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1OC1CCCC(OC)C1.
What is the InChIKey of 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide?
The InChIKey is UBCCDNMZTWWXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-7-14(13(8-10)15(16)17)19-12-5-3-4-11(9-12)18-2/h6-8,11-12H,3-5,9H2,1-2H3,(H3,16,17).
What are the key properties of 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide?
2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide has a molecular weight of 262.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).