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

C15H24IN3 — CID 110933882

IUPAC1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCC(C)(C)c1ccccc1)NC1CC1.I
InChIInChI=1S/C15H23N3.HI/c1-15(2,12-7-5-4-6-8-12)11-17-14(16-3)18-13-9-10-13;/h4-8,13H,9-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyRQYRKQJNGLCPEF-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.91
Rot. Bonds4

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

1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide (PubChem CID 110933882) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
PubChem CID110933882
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCC(C)(C)c1ccccc1)NC1CC1.I
InChIInChI=1S/C15H23N3.HI/c1-15(2,12-7-5-4-6-8-12)11-17-14(16-3)18-13-9-10-13;/h4-8,13H,9-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyRQYRKQJNGLCPEF-UHFFFAOYSA-N
XLogP2.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.91
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

N-cyclopropyl-4-[[N'-methyl-N-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111948240
1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111425065
1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine
CID 110992281
1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111111884
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948093
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111948548
2-methyl-1-[2-methyl-2-(3-methylphenyl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017763
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111947898
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine;hydroiodide
CID 111140590
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111948549
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318474

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide (CID 110933882) is 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide is C/N=C(/NCC(C)(C)c1ccccc1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is RQYRKQJNGLCPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-15(2,12-7-5-4-6-8-12)11-17-14(16-3)18-13-9-10-13;/h4-8,13H,9-11H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110933882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).