3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine

C10H23N5 — CID 104882353

IUPAC3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine
SMILESCCN1CCCC1CN(C)/C(=N/C)NN
InChIInChI=1S/C10H23N5/c1-4-15-7-5-6-9(15)8-14(3)10(12-2)13-11/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyJJRYLSNXNRHZFW-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.15
Rot. Bonds3

About 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine

3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine (PubChem CID 104882353) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine
PubChem CID104882353
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine
SMILESCCN1CCCC1CN(C)/C(=N/C)NN
InChIInChI=1S/C10H23N5/c1-4-15-7-5-6-9(15)8-14(3)10(12-2)13-11/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyJJRYLSNXNRHZFW-UHFFFAOYSA-N
XLogP-0.15
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-amino-N'-ethylpyrrolidine-1-carboximidamide
CID 22977259
2-[(dimethylamino)methyl]-N'-ethylpyrrolidine-1-carboximidamide
CID 62889863
2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
CID 62890037
2-[(dimethylamino)methyl]-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 62890038
2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 62890204
1-Amino-2-(1-pyrrolidin-1-ylpropan-2-yl)guanidine
CID 64866890
1-Amino-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 64867295
N'-amino-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
CID 64875018
N'-amino-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
CID 77058519
1-[(1-Ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine
CID 79318580
2-Ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
CID 79318680
1-[(1-Ethylpyrrolidin-2-yl)methyl]-1-methyl-2-propan-2-ylguanidine
CID 79318871

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine?
The IUPAC name of 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine (CID 104882353) is 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine.
What is the SMILES notation for 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine?
The canonical SMILES for 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine is CCN1CCCC1CN(C)/C(=N/C)NN.
What is the InChIKey of 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine?
The InChIKey is JJRYLSNXNRHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-4-15-7-5-6-9(15)8-14(3)10(12-2)13-11/h9H,4-8,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine?
3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine has a molecular weight of 213.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine is sourced from PubChem (CID 104882353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).