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

C15H23N3O — CID 65340374

IUPAC5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CC2CCC2)ccc1OC
InChIInChI=1S/C15H23N3O/c1-18(9-11-4-3-5-11)10-12-6-7-14(19-2)13(8-12)15(16)17/h6-8,11H,3-5,9-10H2,1-2H3,(H3,16,17)
InChIKeyGCONIZUXTVCPAQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds6

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

5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide (PubChem CID 65340374) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
PubChem CID65340374
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CC2CCC2)ccc1OC
InChIInChI=1S/C15H23N3O/c1-18(9-11-4-3-5-11)10-12-6-7-14(19-2)13(8-12)15(16)17/h6-8,11H,3-5,9-10H2,1-2H3,(H3,16,17)
InChIKeyGCONIZUXTVCPAQ-UHFFFAOYSA-N
XLogP2.21
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
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(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
2-methoxy-5-[[methyl(2-methylsulfanylethyl)amino]methyl]benzenecarboximidamide
CID 112660240
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[[cyclobutylmethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789379
2-methoxy-5-[[methyl(oxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739228
2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 65340080
2-methoxy-5-[[methyl(thiolan-3-yl)amino]methyl]benzenecarboximidamide
CID 65338650
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
CID 81056628
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide (CID 65340374) is 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CN(C)CC2CCC2)ccc1OC.
What is the InChIKey of 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is GCONIZUXTVCPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(9-11-4-3-5-11)10-12-6-7-14(19-2)13(8-12)15(16)17/h6-8,11H,3-5,9-10H2,1-2H3,(H3,16,17).
What are the key properties of 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65340374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).