1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide

C17H26IN3 — CID 111492821

IUPAC1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1ccccc1)NCC(C1CC1)C1CC1.I
InChIInChI=1S/C17H25N3.HI/c1-18-17(19-11-13-5-3-2-4-6-13)20-12-16(14-7-8-14)15-9-10-15;/h2-6,14-16H,7-12H2,1H3,(H2,18,19,20);1H
InChIKeyUSAYUTNPGPJBOG-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.41
Rot. Bonds6

About 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide

1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide (PubChem CID 111492821) has the molecular formula C17H26IN3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide
PubChem CID111492821
Molecular FormulaC17H26IN3
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC Name1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1ccccc1)NCC(C1CC1)C1CC1.I
InChIInChI=1S/C17H25N3.HI/c1-18-17(19-11-13-5-3-2-4-6-13)20-12-16(14-7-8-14)15-9-10-15;/h2-6,14-16H,7-12H2,1H3,(H2,18,19,20);1H
InChIKeyUSAYUTNPGPJBOG-UHFFFAOYSA-N
XLogP3.41
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.41
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;hydroiodide
CID 110953981
1-(2,2-dicyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111691019
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
CID 110953982
1-(2,2-dicyclopropylethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111500308
1-benzyl-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110953592
1-benzyl-3-[2-(dimethylamino)-4-methylpentyl]-2-methylguanidine;hydroiodide
CID 110954799
1-benzyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110954630
1-benzyl-2-methyl-3-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110954948
1-benzyl-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 110954297
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900559
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198653
1-benzyl-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine
CID 111790160

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide (CID 111492821) is 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide is C/N=C(/NCc1ccccc1)NCC(C1CC1)C1CC1.I.
What is the InChIKey of 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide?
The InChIKey is USAYUTNPGPJBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.HI/c1-18-17(19-11-13-5-3-2-4-6-13)20-12-16(14-7-8-14)15-9-10-15;/h2-6,14-16H,7-12H2,1H3,(H2,18,19,20);1H.
What are the key properties of 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide?
1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111492821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).