N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide

C9H19N5 — CID 83219554

IUPACN-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1C(C)CCC1CC
InChIInChI=1S/C9H19N5/c1-3-7-5-4-6(2)14(7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyAVDXSCXSHGYAOZ-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.46
Rot. Bonds1

About N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide (PubChem CID 83219554) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide
PubChem CID83219554
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1C(C)CCC1CC
InChIInChI=1S/C9H19N5/c1-3-7-5-4-6(2)14(7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyAVDXSCXSHGYAOZ-UHFFFAOYSA-N
XLogP0.46
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.46
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'}

Analyze N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide (CID 83219554) is N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1C(C)CCC1CC.
What is the InChIKey of N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
The InChIKey is AVDXSCXSHGYAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-3-7-5-4-6(2)14(7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide has a molecular weight of 197.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-ethyl-5-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 83219554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).