1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide

C18H24IN3 — CID 110953981

IUPAC1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccccc1)NCC(C)c1ccccc1.I
InChIInChI=1S/C18H23N3.HI/c1-15(17-11-7-4-8-12-17)13-20-18(19-2)21-14-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21);1H
InChIKeyAKVJBYBVLRAQHJ-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.77
Rot. Bonds5

About 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide

1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 110953981) has the molecular formula C18H24IN3 and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID110953981
Molecular FormulaC18H24IN3
Molecular Weight409.32 g/mol
Exact Mass409.10
IUPAC Name1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccccc1)NCC(C)c1ccccc1.I
InChIInChI=1S/C18H23N3.HI/c1-15(17-11-7-4-8-12-17)13-20-18(19-2)21-14-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21);1H
InChIKeyAKVJBYBVLRAQHJ-UHFFFAOYSA-N
XLogP3.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.77
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

1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
CID 110953982
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342226
methyl N-[4-[[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111342240
2-methyl-1-(2-phenylpropyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111343113
2-methyl-N-[4-[[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]methyl]phenyl]propanamide
CID 111342883
1-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342496
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342922
N-[4-[[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111342994
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342612
1-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343492
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342613
1-benzyl-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine
CID 111790160

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide (CID 110953981) is 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide is C/N=C(\NCc1ccccc1)NCC(C)c1ccccc1.I.
What is the InChIKey of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is AKVJBYBVLRAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.HI/c1-15(17-11-7-4-8-12-17)13-20-18(19-2)21-14-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide?
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 409.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110953981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).