1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

C17H29IN4 — CID 111029763

IUPAC1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(c1ccccc1)N1CCCC1.I
InChIInChI=1S/C17H28N4.HI/c1-3-20(4-2)17(18)19-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15;/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H2,18,19);1H
InChIKeyCAISLIOBJGQRHK-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.10
Rot. Bonds6

About 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111029763) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111029763
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(c1ccccc1)N1CCCC1.I
InChIInChI=1S/C17H28N4.HI/c1-3-20(4-2)17(18)19-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15;/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H2,18,19);1H
InChIKeyCAISLIOBJGQRHK-UHFFFAOYSA-N
XLogP3.10
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 110884525
1,1-diethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111027437
1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029781
1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 110924778
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
1,1-diethyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111055102
1-cyclopropyl-1-methyl-2-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]guanidine;hydroiodide
CID 110030458
1,1-diethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099883
1-[4-(diethylamino)butyl]-3-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326545
2-(2-methylpropyl)-1-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029757
1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027017
2-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111029804

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 111029763) is 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is CCN(CC)/C(N)=N/CC(c1ccccc1)N1CCCC1.I.
What is the InChIKey of 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is CAISLIOBJGQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-3-20(4-2)17(18)19-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15;/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H2,18,19);1H.
What are the key properties of 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111029763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).