5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide

C12H19N3 — CID 107930328

IUPAC5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N(C)CCC
InChIInChI=1S/C12H19N3/c1-4-7-15(3)11-6-5-9(2)8-10(11)12(13)14/h5-6,8H,4,7H2,1-3H3,(H3,13,14)
InChIKeyBCNCLAWFMXUDFE-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.13
Rot. Bonds4

About 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide

5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide (PubChem CID 107930328) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
PubChem CID107930328
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N(C)CCC
InChIInChI=1S/C12H19N3/c1-4-7-15(3)11-6-5-9(2)8-10(11)12(13)14/h5-6,8H,4,7H2,1-3H3,(H3,13,14)
InChIKeyBCNCLAWFMXUDFE-UHFFFAOYSA-N
XLogP2.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.13
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'}

Analyze 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide 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

5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 107930591
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[2-methoxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107930430
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725
5-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114892898
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
CID 79850182
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide (CID 107930328) is 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N(C)CCC.
What is the InChIKey of 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
The InChIKey is BCNCLAWFMXUDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-7-15(3)11-6-5-9(2)8-10(11)12(13)14/h5-6,8H,4,7H2,1-3H3,(H3,13,14).
What are the key properties of 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide has a molecular weight of 205.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107930328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).