4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide

C13H21N3O — CID 81279372

IUPAC4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCCOC)cc1C
InChIInChI=1S/C13H21N3O/c1-10-9-11(5-6-12(10)13(14)15)16(2)7-4-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H3,14,15)
InChIKeyKXWDKEJLZQKVSO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds6

About 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide

4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide (PubChem CID 81279372) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
PubChem CID81279372
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCCOC)cc1C
InChIInChI=1S/C13H21N3O/c1-10-9-11(5-6-12(10)13(14)15)16(2)7-4-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H3,14,15)
InChIKeyKXWDKEJLZQKVSO-UHFFFAOYSA-N
XLogP1.75
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 81278791
2-methyl-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 81278369
2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide
CID 62984137
4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
2-chloro-4-[3-methoxypropyl(methyl)amino]benzenecarbothioamide
CID 55142433
2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 81279169
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
CID 62135793
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide (CID 81279372) is 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CCCOC)cc1C.
What is the InChIKey of 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide?
The InChIKey is KXWDKEJLZQKVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-11(5-6-12(10)13(14)15)16(2)7-4-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide?
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81279372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).