5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide

C16H25N3O — CID 65338837

IUPAC5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)C2CCCCC2)ccc1OC
InChIInChI=1S/C16H25N3O/c1-19(13-6-4-3-5-7-13)11-12-8-9-15(20-2)14(10-12)16(17)18/h8-10,13H,3-7,11H2,1-2H3,(H3,17,18)
InChIKeyIKQDOEWSJDFPHS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.74
Rot. Bonds5

About 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide

5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide (PubChem CID 65338837) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
PubChem CID65338837
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)C2CCCCC2)ccc1OC
InChIInChI=1S/C16H25N3O/c1-19(13-6-4-3-5-7-13)11-12-8-9-15(20-2)14(10-12)16(17)18/h8-10,13H,3-7,11H2,1-2H3,(H3,17,18)
InChIKeyIKQDOEWSJDFPHS-UHFFFAOYSA-N
XLogP2.74
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.74
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

2-methoxy-5-[[methyl(oxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739228
2-methoxy-5-[[methyl(thiolan-3-yl)amino]methyl]benzenecarboximidamide
CID 65338650
5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65340374
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
4-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788695
5-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 79005303
4-[[cyclopentyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788720
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
2-methoxy-5-[[methyl(2-methylsulfanylethyl)amino]methyl]benzenecarboximidamide
CID 112660240
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide (CID 65338837) is 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CN(C)C2CCCCC2)ccc1OC.
What is the InChIKey of 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is IKQDOEWSJDFPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(13-6-4-3-5-7-13)11-12-8-9-15(20-2)14(10-12)16(17)18/h8-10,13H,3-7,11H2,1-2H3,(H3,17,18).
What are the key properties of 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65338837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).