2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide

C15H24N4O — CID 106790543

IUPAC2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCN(C)CC2)cc1OC
InChIInChI=1S/C15H24N4O/c1-18-6-3-7-19(9-8-18)11-12-4-5-13(15(16)17)14(10-12)20-2/h4-5,10H,3,6-9,11H2,1-2H3,(H3,16,17)
InChIKeyZKQWLVSUWBFDDC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.12
Rot. Bonds4

About 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide

2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide (PubChem CID 106790543) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide
PubChem CID106790543
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCN(C)CC2)cc1OC
InChIInChI=1S/C15H24N4O/c1-18-6-3-7-19(9-8-18)11-12-4-5-13(15(16)17)14(10-12)20-2/h4-5,10H,3,6-9,11H2,1-2H3,(H3,16,17)
InChIKeyZKQWLVSUWBFDDC-UHFFFAOYSA-N
XLogP1.12
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 106790863
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107404848
4-[(4-ethylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790895
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 106790715
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790956
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790941
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107455552
5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide
CID 58538397
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 106790819
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide (CID 106790543) is 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCCN(C)CC2)cc1OC.
What is the InChIKey of 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide?
The InChIKey is ZKQWLVSUWBFDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-6-3-7-19(9-8-18)11-12-4-5-13(15(16)17)14(10-12)20-2/h4-5,10H,3,6-9,11H2,1-2H3,(H3,16,17).
What are the key properties of 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide?
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 106790543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).