1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine

C14H30N4 — CID 22500452

IUPAC1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
SMILESCCCCN/C(N)=N/CCCCCN1CCCC1
InChIInChI=1S/C14H30N4/c1-2-3-9-16-14(15)17-10-5-4-6-11-18-12-7-8-13-18/h2-13H2,1H3,(H3,15,16,17)
InChIKeyCXIZCGKOGBUDEK-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.96
Rot. Bonds9

About 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine

1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine (PubChem CID 22500452) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
PubChem CID22500452
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
SMILESCCCCN/C(N)=N/CCCCCN1CCCC1
InChIInChI=1S/C14H30N4/c1-2-3-9-16-14(15)17-10-5-4-6-11-18-12-7-8-13-18/h2-13H2,1H3,(H3,15,16,17)
InChIKeyCXIZCGKOGBUDEK-UHFFFAOYSA-N
XLogP1.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.96
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'}

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Related Compounds

1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111809695
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111060231
1-[4-[(N'-octylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060520
1-butyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111057070
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
2-[4-(4-benzylpiperazin-1-yl)butyl]-1-butylguanidine;hydroiodide
CID 111066778
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681
1-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 62363121
2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
CID 111809668
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine?
The IUPAC name of 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine (CID 22500452) is 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine.
What is the SMILES notation for 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine?
The canonical SMILES for 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine is CCCCN/C(N)=N/CCCCCN1CCCC1.
What is the InChIKey of 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine?
The InChIKey is CXIZCGKOGBUDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-2-3-9-16-14(15)17-10-5-4-6-11-18-12-7-8-13-18/h2-13H2,1H3,(H3,15,16,17).
What are the key properties of 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine?
1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine is sourced from PubChem (CID 22500452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).