N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide

C11H24N4 — CID 104882668

IUPACN-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCCC1CC
InChIInChI=1S/C11H24N4/c1-3-5-8-13-11(14-12)15-9-6-7-10(15)4-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyCUEJZOUUVXPIDD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.48
Rot. Bonds4

About N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide

N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide (PubChem CID 104882668) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide
PubChem CID104882668
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCCC1CC
InChIInChI=1S/C11H24N4/c1-3-5-8-13-11(14-12)15-9-6-7-10(15)4-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyCUEJZOUUVXPIDD-UHFFFAOYSA-N
XLogP1.48
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-Amino-2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530262
N-amino-N'-ethylpyrrolidine-1-carboximidamide
CID 22977259
N-amino-N'-methylpyrrolidine-1-carboximidamide
CID 89196844
3-Amino-1-cyclohexyl-1,2-dimethylguanidine
CID 104881953
N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide
CID 176522350
N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride
CID 55281451
2-ethyl-N'-methylpyrrolidine-1-carboximidamide
CID 62358410
N',2-diethylpyrrolidine-1-carboximidamide
CID 62364536
2-ethyl-N'-propylpyrrolidine-1-carboximidamide
CID 62364762
2-ethyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 62364763
N'-amino-2-ethylpyrrolidine-1-carboximidamide
CID 77053938
N-(diaminomethylidene)-2-ethylpyrrolidine-1-carboximidamide
CID 83031831

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide (CID 104882668) is N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide is CCCC/N=C(\NN)N1CCCC1CC.
What is the InChIKey of N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide?
The InChIKey is CUEJZOUUVXPIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-3-5-8-13-11(14-12)15-9-6-7-10(15)4-2/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide?
N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).