1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

C12H25N5O2 — CID 104888188

IUPAC1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCOCCCN/C(=N\CC(=O)N1CCCC1)NN
InChIInChI=1S/C12H25N5O2/c1-2-19-9-5-6-14-12(16-13)15-10-11(18)17-7-3-4-8-17/h2-10,13H2,1H3,(H2,14,15,16)
InChIKeyXPGGZPGTAVUETG-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.56
Rot. Bonds7

About 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 104888188) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID104888188
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCOCCCN/C(=N\CC(=O)N1CCCC1)NN
InChIInChI=1S/C12H25N5O2/c1-2-19-9-5-6-14-12(16-13)15-10-11(18)17-7-3-4-8-17/h2-10,13H2,1H3,(H2,14,15,16)
InChIKeyXPGGZPGTAVUETG-UHFFFAOYSA-N
XLogP-0.56
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

1-(2-ethoxyethyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111895625
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
2-(3-ethoxypropyl)-1-ethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111224260
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111929473
1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111646457
1-amino-3-(3-ethoxypropyl)-2-[(1-ethylpiperidin-4-yl)methyl]guanidine
CID 104885124
1-[3-(azepan-1-yl)propyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111325404
1-(4-ethoxybutyl)-3-ethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111945463
2-[[(3-ethoxypropylamino)-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111421538
1-(4-cyclopentylbutyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111608690
1-[3-(2,6-dimethylphenoxy)propyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928725
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 110925101

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (CID 104888188) is 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is CCOCCCN/C(=N\CC(=O)N1CCCC1)NN.
What is the InChIKey of 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is XPGGZPGTAVUETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-2-19-9-5-6-14-12(16-13)15-10-11(18)17-7-3-4-8-17/h2-10,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 271.36 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 104888188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).