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

C10H22N4 — CID 62991555

IUPAC1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(N)=N/CCCN1CCCC1
InChIInChI=1S/C10H22N4/c1-2-12-10(11)13-6-5-9-14-7-3-4-8-14/h2-9H2,1H3,(H3,11,12,13)
InChIKeyWNYBFTLIHXNIRT-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.40
Rot. Bonds5

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

1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 62991555) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID62991555
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(N)=N/CCCN1CCCC1
InChIInChI=1S/C10H22N4/c1-2-12-10(11)13-6-5-9-14-7-3-4-8-14/h2-9H2,1H3,(H3,11,12,13)
InChIKeyWNYBFTLIHXNIRT-UHFFFAOYSA-N
XLogP0.40
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.40
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-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 62363121
1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991903
1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
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-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
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-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
CID 15052354
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine (CID 62991555) is 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine is CCN/C(N)=N/CCCN1CCCC1.
What is the InChIKey of 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is WNYBFTLIHXNIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-2-12-10(11)13-6-5-9-14-7-3-4-8-14/h2-9H2,1H3,(H3,11,12,13).
What are the key properties of 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 62991555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).