1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine

C13H22N4 — CID 75493772

IUPAC1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
SMILESC/N=C(\NC)NCC(C)N(C)c1ccccc1
InChIInChI=1S/C13H22N4/c1-11(10-16-13(14-2)15-3)17(4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,14,15,16)
InChIKeyZGRFPJDBXDEKAP-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.31
Rot. Bonds4

About 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine

1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine (PubChem CID 75493772) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
PubChem CID75493772
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
SMILESC/N=C(\NC)NCC(C)N(C)c1ccccc1
InChIInChI=1S/C13H22N4/c1-11(10-16-13(14-2)15-3)17(4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,14,15,16)
InChIKeyZGRFPJDBXDEKAP-UHFFFAOYSA-N
XLogP1.31
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.31
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

2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126318
1-butan-2-yl-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110943546
1-(2-methoxyethyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110939715
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345870
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 109408317
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111605188
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110998033
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111351024
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 111693852
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192223
2-methyl-1-[2-(N-methylanilino)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584771
tert-butyl N-[3-[[N'-methyl-N-[2-(N-methylanilino)propyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111885868

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine (CID 75493772) is 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine is C/N=C(\NC)NCC(C)N(C)c1ccccc1.
What is the InChIKey of 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine?
The InChIKey is ZGRFPJDBXDEKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(10-16-13(14-2)15-3)17(4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,14,15,16).
What are the key properties of 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine?
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine has a molecular weight of 234.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine is sourced from PubChem (CID 75493772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).