4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide

C15H23N3O — CID 81302848

IUPAC4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCCCC1C
InChIInChI=1S/C15H23N3O/c1-11-6-4-3-5-9-18(11)14-10-12(19-2)7-8-13(14)15(16)17/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,17)
InChIKeyJTRJLZJFBOVPJJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds3

About 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide

4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide (PubChem CID 81302848) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
PubChem CID81302848
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCCCC1C
InChIInChI=1S/C15H23N3O/c1-11-6-4-3-5-9-18(11)14-10-12(19-2)7-8-13(14)15(16)17/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,17)
InChIKeyJTRJLZJFBOVPJJ-UHFFFAOYSA-N
XLogP2.75
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
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-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303122
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118
4-bromo-2-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 114904446
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81302532
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
2-bromo-3-fluoro-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 107536513
1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide
CID 81306763
4-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 81299929
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
CID 81302879
2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
CID 81300125
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide (CID 81302848) is 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N1CCCCCC1C.
What is the InChIKey of 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide?
The InChIKey is JTRJLZJFBOVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-4-3-5-9-18(11)14-10-12(19-2)7-8-13(14)15(16)17/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,17).
What are the key properties of 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide?
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide is sourced from PubChem (CID 81302848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).