1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide

C16H28IN3 — CID 111619132

IUPAC1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCC(C)(C)Cc1ccccc1.I
InChIInChI=1S/C16H27N3.HI/c1-5-11-18-15(17-4)19-13-16(2,3)12-14-9-7-6-8-10-14;/h6-10H,5,11-13H2,1-4H3,(H2,17,18,19);1H
InChIKeyZJIVIESRWDWSTA-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.45
Rot. Bonds6

About 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide

1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111619132) has the molecular formula C16H28IN3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111619132
Molecular FormulaC16H28IN3
Molecular Weight389.33 g/mol
Exact Mass389.13
IUPAC Name1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCC(C)(C)Cc1ccccc1.I
InChIInChI=1S/C16H27N3.HI/c1-5-11-18-15(17-4)19-13-16(2,3)12-14-9-7-6-8-10-14;/h6-10H,5,11-13H2,1-4H3,(H2,17,18,19);1H
InChIKeyZJIVIESRWDWSTA-UHFFFAOYSA-N
XLogP3.45
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.45
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-(2,2-dimethyl-3-phenylpropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111619107
1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111619045
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111619240
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111619241
1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111425065
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791664
2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
CID 111964503
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111619338
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111200143
1-(2-benzylsulfinylethyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111763420
2-[(N'-methyl-N-propylcarbamimidoyl)amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111226914
2-methyl-1-(2-phenylsulfanylethyl)-3-propylguanidine;hydroiodide
CID 111226575

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide (CID 111619132) is 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCC(C)(C)Cc1ccccc1.I.
What is the InChIKey of 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is ZJIVIESRWDWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3.HI/c1-5-11-18-15(17-4)19-13-16(2,3)12-14-9-7-6-8-10-14;/h6-10H,5,11-13H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 389.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111619132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).