1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine

C11H19N5 — CID 116510994

IUPAC1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine
SMILESC/N=C(\NN)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C11H19N5/c1-8-5-6-9(7-10(8)16(3)4)14-11(13-2)15-12/h5-7H,12H2,1-4H3,(H2,13,14,15)
InChIKeyTUTSWLUZXFPXLW-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.92
Rot. Bonds2

About 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine

1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine (PubChem CID 116510994) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine
PubChem CID116510994
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine
SMILESC/N=C(\NN)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C11H19N5/c1-8-5-6-9(7-10(8)16(3)4)14-11(13-2)15-12/h5-7H,12H2,1-4H3,(H2,13,14,15)
InChIKeyTUTSWLUZXFPXLW-UHFFFAOYSA-N
XLogP0.92
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine
CID 116516122
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine
CID 116510668
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 115377371
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
N-[3-(dimethylamino)-4-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 115377382
1-amino-3-(4-fluoro-3-methoxyphenyl)-2-methylguanidine
CID 114841239
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine?
The IUPAC name of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine (CID 116510994) is 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine.
What is the SMILES notation for 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine?
The canonical SMILES for 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine is C/N=C(\NN)Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine?
The InChIKey is TUTSWLUZXFPXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-5-6-9(7-10(8)16(3)4)14-11(13-2)15-12/h5-7H,12H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine?
1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine has a molecular weight of 221.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine is sourced from PubChem (CID 116510994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).