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

C8H18N4 — CID 104881917

IUPACN-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide
SMILESCCC1CCCN1/C(=N/C)NN
InChIInChI=1S/C8H18N4/c1-3-7-5-4-6-12(7)8(10-2)11-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyCVAUONZLXWKYMO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.31
Rot. Bonds1

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

N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 104881917) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide
PubChem CID104881917
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide
SMILESCCC1CCCN1/C(=N/C)NN
InChIInChI=1S/C8H18N4/c1-3-7-5-4-6-12(7)8(10-2)11-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyCVAUONZLXWKYMO-UHFFFAOYSA-N
XLogP0.31
TPSA53.65 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 ≤ 50.31
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

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-2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide (CID 104881917) is N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide is CCC1CCCN1/C(=N/C)NN.
What is the InChIKey of N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is CVAUONZLXWKYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-3-7-5-4-6-12(7)8(10-2)11-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of 0.31, 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-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104881917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).