1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide

C15H33IN4 — CID 111809695

IUPAC1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CCCCCN1CCCCC1.I
InChIInChI=1S/C15H32N4.HI/c1-2-3-10-17-15(16)18-11-6-4-7-12-19-13-8-5-9-14-19;/h2-14H2,1H3,(H3,16,17,18);1H
InChIKeyBLJKULLDLNEIIQ-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.96
Rot. Bonds9

About 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide

1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide (PubChem CID 111809695) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
PubChem CID111809695
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CCCCCN1CCCCC1.I
InChIInChI=1S/C15H32N4.HI/c1-2-3-10-17-15(16)18-11-6-4-7-12-19-13-8-5-9-14-19;/h2-14H2,1H3,(H3,16,17,18);1H
InChIKeyBLJKULLDLNEIIQ-UHFFFAOYSA-N
XLogP2.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.96
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
1-[4-[(N'-octylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060520
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111060231
2-[4-(4-benzylpiperazin-1-yl)butyl]-1-butylguanidine;hydroiodide
CID 111066778
1-butyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111057070
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681
2-[3-(azepan-1-yl)propyl]-1-butyl-3-ethylguanidine;hydroiodide
CID 111149811
1-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 62363121
1-butyl-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111030605

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide?
The IUPAC name of 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide (CID 111809695) is 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide is CCCCN/C(N)=N/CCCCCN1CCCCC1.I.
What is the InChIKey of 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide?
The InChIKey is BLJKULLDLNEIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-2-3-10-17-15(16)18-11-6-4-7-12-19-13-8-5-9-14-19;/h2-14H2,1H3,(H3,16,17,18);1H.
What are the key properties of 1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide?
1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.96, 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-piperidin-1-ylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 111809695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).