N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide

C8H18N4 — CID 104882508

IUPACN-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(C)CC1C
InChIInChI=1S/C8H18N4/c1-6-4-7(2)12(5-6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyVAHXMVICMSESLM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.17
Rot. Bonds

About N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide

N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide (PubChem CID 104882508) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide
PubChem CID104882508
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(C)CC1C
InChIInChI=1S/C8H18N4/c1-6-4-7(2)12(5-6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyVAHXMVICMSESLM-UHFFFAOYSA-N
XLogP0.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide (CID 104882508) is N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CC(C)CC1C.
What is the InChIKey of N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is VAHXMVICMSESLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-6-4-7(2)12(5-6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide?
N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).