1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

C17H29IN4 — CID 111029781

IUPAC1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCN(C)C(=NCC(c1ccccc1)N1CCCC1)N(C)C.I
InChIInChI=1S/C17H28N4.HI/c1-19(2)17(20(3)4)18-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15;/h5-7,10-11,16H,8-9,12-14H2,1-4H3;1H
InChIKeyBGWKSFRXRSKZGA-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.92
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111029781) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111029781
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCN(C)C(=NCC(c1ccccc1)N1CCCC1)N(C)C.I
InChIInChI=1S/C17H28N4.HI/c1-19(2)17(20(3)4)18-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15;/h5-7,10-11,16H,8-9,12-14H2,1-4H3;1H
InChIKeyBGWKSFRXRSKZGA-UHFFFAOYSA-N
XLogP2.92
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
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-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111030442
2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 110884525
2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111029003
1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029763
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111028642
1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 110924778
2-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111054485
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
1-[4-(diethylamino)butyl]-3-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326545
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
2-(2-methylpropyl)-1-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029757

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 111029781) is 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is CN(C)C(=NCC(c1ccccc1)N1CCCC1)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is BGWKSFRXRSKZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-19(2)17(20(3)4)18-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15;/h5-7,10-11,16H,8-9,12-14H2,1-4H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111029781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).