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

C15H23N3 — CID 81279467

IUPAC2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCCC2C)cc1C
InChIInChI=1S/C15H23N3/c1-11-10-13(7-8-14(11)15(16)17)18-9-5-3-4-6-12(18)2/h7-8,10,12H,3-6,9H2,1-2H3,(H3,16,17)
InChIKeyMRMZDMRJWCSJKJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.05
Rot. Bonds2

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

2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide (PubChem CID 81279467) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
PubChem CID81279467
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCCC2C)cc1C
InChIInChI=1S/C15H23N3/c1-11-10-13(7-8-14(11)15(16)17)18-9-5-3-4-6-12(18)2/h7-8,10,12H,3-6,9H2,1-2H3,(H3,16,17)
InChIKeyMRMZDMRJWCSJKJ-UHFFFAOYSA-N
XLogP3.05
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-(azocan-1-yl)-2-methylbenzenecarboximidamide
CID 81279161
2-methyl-4-(3-methylthiomorpholin-4-yl)benzenecarboximidamide
CID 81278788
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593511
2-bromo-3-fluoro-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 107536513
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
2-chloro-4-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690051
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
4-bromo-2-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 114904446
2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzenecarboximidamide
CID 81268399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide?
The IUPAC name of 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide (CID 81279467) is 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCCCC2C)cc1C.
What is the InChIKey of 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide?
The InChIKey is MRMZDMRJWCSJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-10-13(7-8-14(11)15(16)17)18-9-5-3-4-6-12(18)2/h7-8,10,12H,3-6,9H2,1-2H3,(H3,16,17).
What are the key properties of 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide?
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide is sourced from PubChem (CID 81279467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).