1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

C16H35IN4 — CID 111042194

IUPAC1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCC(CC)C(C/N=C(\N)NC(C)(C)C)N1CCCC1.I
InChIInChI=1S/C16H34N4.HI/c1-6-13(7-2)14(20-10-8-9-11-20)12-18-15(17)19-16(3,4)5;/h13-14H,6-12H2,1-5H3,(H3,17,18,19);1H
InChIKeyYICUPBVIRHAEQG-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.21
Rot. Bonds6

About 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (PubChem CID 111042194) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
PubChem CID111042194
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC Name1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCC(CC)C(C/N=C(\N)NC(C)(C)C)N1CCCC1.I
InChIInChI=1S/C16H34N4.HI/c1-6-13(7-2)14(20-10-8-9-11-20)12-18-15(17)19-16(3,4)5;/h13-14H,6-12H2,1-5H3,(H3,17,18,19);1H
InChIKeyYICUPBVIRHAEQG-UHFFFAOYSA-N
XLogP3.21
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
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'}

Analyze 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 110927047
2-(3-ethyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042205
N'-(3-ethyl-2-pyrrolidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111042220
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111027151
1-tert-butyl-2-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111054522
1-tert-butyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111054364
1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111028795
1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086316
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070321
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111041654

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (CID 111042194) is 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is CCC(CC)C(C/N=C(\N)NC(C)(C)C)N1CCCC1.I.
What is the InChIKey of 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The InChIKey is YICUPBVIRHAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-6-13(7-2)14(20-10-8-9-11-20)12-18-15(17)19-16(3,4)5;/h13-14H,6-12H2,1-5H3,(H3,17,18,19);1H.
What are the key properties of 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 111042194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).