1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine

C8H18N4O — CID 62991903

IUPAC1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCCC1)NO
InChIInChI=1S/C8H18N4O/c9-8(11-13)10-4-3-7-12-5-1-2-6-12/h13H,1-7H2,(H3,9,10,11)
InChIKeyCLCPUSLDAFCBFQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.23
Rot. Bonds4

About 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine

1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 62991903) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID62991903
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCCC1)NO
InChIInChI=1S/C8H18N4O/c9-8(11-13)10-4-3-7-12-5-1-2-6-12/h13H,1-7H2,(H3,9,10,11)
InChIKeyCLCPUSLDAFCBFQ-UHFFFAOYSA-N
XLogP-0.23
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
CID 15052354
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
1-(3,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059744
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681
1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111809695

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine (CID 62991903) is 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine is N/C(=N\CCCN1CCCC1)NO.
What is the InChIKey of 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is CLCPUSLDAFCBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c9-8(11-13)10-4-3-7-12-5-1-2-6-12/h13H,1-7H2,(H3,9,10,11).
What are the key properties of 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine?
1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 62991903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).