N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide

C8H18N4 — CID 83219973

IUPACN'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide
SMILESCCC1CCC(C)N1C(N)=NN
InChIInChI=1S/C8H18N4/c1-3-7-5-4-6(2)12(7)8(9)11-10/h6-7H,3-5,10H2,1-2H3,(H2,9,11)
InChIKeyXKRNFUPOKRSIBG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.44
Rot. Bonds1

About N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide

N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide (PubChem CID 83219973) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide
PubChem CID83219973
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide
SMILESCCC1CCC(C)N1C(N)=NN
InChIInChI=1S/C8H18N4/c1-3-7-5-4-6(2)12(7)8(9)11-10/h6-7H,3-5,10H2,1-2H3,(H2,9,11)
InChIKeyXKRNFUPOKRSIBG-UHFFFAOYSA-N
XLogP0.44
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-Propylpyrrolidine-1-carboximidamide
CID 68303121
N'-(N'-cycloheptylcarbamimidoyl)pyrrolidine-1-carboximidamide
CID 71514567
N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
CID 71514805
2-Amino-1-heptyl-1-methylguanidine
CID 76223385
N'-(N'-cycloheptylcarbamimidoyl)pyrrolidine-1-carboximidamide
CID 78093903
2-Amino-1-heptyl-1-methylguanidine
CID 88138044
Ethane;2-propylpyrrolidine-1-carboximidamide
CID 145315549
N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide
CID 176522350
2-Amino-1-heptyl-1-methylguanidine
CID 55281921
2-ethyl-N'-methylpyrrolidine-1-carboximidamide
CID 62358410
N',2-diethylpyrrolidine-1-carboximidamide
CID 62364536
2-ethyl-N'-propylpyrrolidine-1-carboximidamide
CID 62364762

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide (CID 83219973) is N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide is CCC1CCC(C)N1C(N)=NN.
What is the InChIKey of N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
The InChIKey is XKRNFUPOKRSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-3-7-5-4-6(2)12(7)8(9)11-10/h6-7H,3-5,10H2,1-2H3,(H2,9,11).
What are the key properties of N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 83219973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).