2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine

C8H18N4 — CID 59851432

IUPAC2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
SMILESCCN1CCC[C@H]1CN=C(N)N
InChIInChI=1S/C8H18N4/c1-2-12-5-3-4-7(12)6-11-8(9)10/h7H,2-6H2,1H3,(H4,9,10,11)/t7-/m0/s1
InChIKeyMMJQPHZNGYTMSE-ZETCQYMHSA-N
MW170.26 g/mol
LogP-0.26
Rot. Bonds3

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

2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine (PubChem CID 59851432) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
PubChem CID59851432
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
SMILESCCN1CCC[C@H]1CN=C(N)N
InChIInChI=1S/C8H18N4/c1-2-12-5-3-4-7(12)6-11-8(9)10/h7H,2-6H2,1H3,(H4,9,10,11)/t7-/m0/s1
InChIKeyMMJQPHZNGYTMSE-ZETCQYMHSA-N
XLogP-0.26
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine
CID 122098248
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125996
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
1-[2-(azepan-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111057037
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063441
1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 104883116
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111803509
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822778
1-[2-[ethyl(methyl)amino]ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111085782

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine?
The IUPAC name of 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine (CID 59851432) is 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine.
What is the SMILES notation for 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine?
The canonical SMILES for 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine is CCN1CCC[C@H]1CN=C(N)N.
What is the InChIKey of 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine?
The InChIKey is MMJQPHZNGYTMSE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-12-5-3-4-7(12)6-11-8(9)10/h7H,2-6H2,1H3,(H4,9,10,11)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine?
2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine has a molecular weight of 170.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine is sourced from PubChem (CID 59851432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).