N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide

C8H17N5 — CID 130993955

IUPACN-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(C)C1C
InChIInChI=1S/C8H17N5/c1-5-3-4-13(6(5)2)8(11)12-7(9)10/h5-6H,3-4H2,1-2H3,(H5,9,10,11,12)
InChIKeyQUZKHNJVTJYSKO-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.08
Rot. Bonds

About N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide (PubChem CID 130993955) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide
PubChem CID130993955
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC NameN-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(C)C1C
InChIInChI=1S/C8H17N5/c1-5-3-4-13(6(5)2)8(11)12-7(9)10/h5-6H,3-4H2,1-2H3,(H5,9,10,11,12)
InChIKeyQUZKHNJVTJYSKO-UHFFFAOYSA-N
XLogP-0.08
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide (CID 130993955) is N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(C)C1C.
What is the InChIKey of N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is QUZKHNJVTJYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-5-3-4-13(6(5)2)8(11)12-7(9)10/h5-6H,3-4H2,1-2H3,(H5,9,10,11,12).
What are the key properties of N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 183.26 g/mol, XLogP of -0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 130993955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).