N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide

C11H24N4O — CID 104884380

IUPACN-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C)C1
InChIInChI=1S/C11H24N4O/c1-3-16-8-4-6-13-11(14-12)15-7-5-10(2)9-15/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyHYSWTQBJXJGYSX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.57
Rot. Bonds5

About N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide

N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide (PubChem CID 104884380) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
PubChem CID104884380
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C)C1
InChIInChI=1S/C11H24N4O/c1-3-16-8-4-6-13-11(14-12)15-7-5-10(2)9-15/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyHYSWTQBJXJGYSX-UHFFFAOYSA-N
XLogP0.57
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
CID 104888829
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 104887655
N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 104888422

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide (CID 104884380) is N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCC(C)C1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide?
The InChIKey is HYSWTQBJXJGYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-16-8-4-6-13-11(14-12)15-7-5-10(2)9-15/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104884380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).