2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide

C13H27IN4 — CID 111034788

IUPAC2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCN1CCCC1
InChIInChI=1S/C13H26N4.HI/c14-13(16-11-12-5-3-6-12)15-7-4-10-17-8-1-2-9-17;/h12H,1-11H2,(H3,14,15,16);1H
InChIKeyBCQXNYOLSRSUKG-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.79
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide

2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111034788) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID111034788
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCN1CCCC1
InChIInChI=1S/C13H26N4.HI/c14-13(16-11-12-5-3-6-12)15-7-4-10-17-8-1-2-9-17;/h12H,1-11H2,(H3,14,15,16);1H
InChIKeyBCQXNYOLSRSUKG-UHFFFAOYSA-N
XLogP1.79
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
2-(cyclobutylmethyl)-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091675
2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10589924
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111082428
tert-butyl 4-[3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate;hydroiodide
CID 111070901
2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 120580676
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-(cyclobutylmethyl)guanidine
CID 111807968
2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077544
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065342
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111083566
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide (CID 111034788) is 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide is I.N/C(=N\CC1CCC1)NCCCN1CCCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is BCQXNYOLSRSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c14-13(16-11-12-5-3-6-12)15-7-4-10-17-8-1-2-9-17;/h12H,1-11H2,(H3,14,15,16);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111034788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).