2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine

C12H24N4O — CID 122098248

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine
SMILESCCN1CCCC1C/N=C(\N)NC1CC(O)C1
InChIInChI=1S/C12H24N4O/c1-2-16-5-3-4-10(16)8-14-12(13)15-9-6-11(17)7-9/h9-11,17H,2-8H2,1H3,(H3,13,14,15)
InChIKeyOGAYZCLXHUBFIR-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine (PubChem CID 122098248) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine
PubChem CID122098248
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine
SMILESCCN1CCCC1C/N=C(\N)NC1CC(O)C1
InChIInChI=1S/C12H24N4O/c1-2-16-5-3-4-10(16)8-14-12(13)15-9-6-11(17)7-9/h9-11,17H,2-8H2,1H3,(H3,13,14,15)
InChIKeyOGAYZCLXHUBFIR-UHFFFAOYSA-N
XLogP-0.10
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822778
2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
CID 59851432
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046131
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125996
1-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818868
1-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111818867
1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 104883116
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063441
1-[2-(azepan-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111057037
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818754

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine (CID 122098248) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine is CCN1CCCC1C/N=C(\N)NC1CC(O)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine?
The InChIKey is OGAYZCLXHUBFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-16-5-3-4-10(16)8-14-12(13)15-9-6-11(17)7-9/h9-11,17H,2-8H2,1H3,(H3,13,14,15).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine has a molecular weight of 240.35 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine is sourced from PubChem (CID 122098248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).