2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide

C12H20IN3 — CID 110912166

IUPAC2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccccc1C.I
InChIInChI=1S/C12H19N3.HI/c1-3-8-14-12(13)15-9-11-7-5-4-6-10(11)2;/h4-7H,3,8-9H2,1-2H3,(H3,13,14,15);1H
InChIKeyWFJQOHHUDFOTTI-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.43
Rot. Bonds4

About 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide

2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 110912166) has the molecular formula C12H20IN3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
PubChem CID110912166
Molecular FormulaC12H20IN3
Molecular Weight333.22 g/mol
Exact Mass333.07
IUPAC Name2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccccc1C.I
InChIInChI=1S/C12H19N3.HI/c1-3-8-14-12(13)15-9-11-7-5-4-6-10(11)2;/h4-7H,3,8-9H2,1-2H3,(H3,13,14,15);1H
InChIKeyWFJQOHHUDFOTTI-UHFFFAOYSA-N
XLogP2.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912322
1,2-bis[(2-methylphenyl)methyl]guanidine
CID 19974401
2-[(4-bromo-2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111808721
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038103
1-butan-2-yl-2-[(2-methylphenyl)methyl]guanidine
CID 110919328
1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
CID 175917491
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1-hexyl-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077305
2-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-1-propylguanidine;hydroiodide
CID 111813439
2-methyl-1-[(2-methylphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111225502
2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide (CID 110912166) is 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccccc1C.I.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is WFJQOHHUDFOTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.HI/c1-3-8-14-12(13)15-9-11-7-5-4-6-10(11)2;/h4-7H,3,8-9H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide?
2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 333.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 110912166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).