2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide

C15H27IN4 — CID 111126318

IUPAC2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)N(C)c1ccccc1)NC(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-12(2)18-15(16-4)17-11-13(3)19(5)14-9-7-6-8-10-14;/h6-10,12-13H,11H2,1-5H3,(H2,16,17,18);1H
InChIKeyRIFVYPNORQJQDW-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide

2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide (PubChem CID 111126318) has the molecular formula C15H27IN4 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide
PubChem CID111126318
Molecular FormulaC15H27IN4
Molecular Weight390.31 g/mol
Exact Mass390.13
IUPAC Name2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)N(C)c1ccccc1)NC(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-12(2)18-15(16-4)17-11-13(3)19(5)14-9-7-6-8-10-14;/h6-10,12-13H,11H2,1-5H3,(H2,16,17,18);1H
InChIKeyRIFVYPNORQJQDW-UHFFFAOYSA-N
XLogP2.70
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.70
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110943546
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110998033
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111780408
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345870
1-(2-methoxyethyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110939715
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
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192223
tert-butyl N-[3-[[N'-methyl-N-[2-(N-methylanilino)propyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111885868
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 111693852
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111351024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide (CID 111126318) is 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide is C/N=C(/NCC(C)N(C)c1ccccc1)NC(C)C.I.
What is the InChIKey of 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is RIFVYPNORQJQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.HI/c1-12(2)18-15(16-4)17-11-13(3)19(5)14-9-7-6-8-10-14;/h6-10,12-13H,11H2,1-5H3,(H2,16,17,18);1H.
What are the key properties of 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide?
2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 390.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111126318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).