2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide

C9H19N3 — CID 62364532

IUPAC2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCCC1C
InChIInChI=1S/C9H19N3/c1-7(2)11-9(10)12-6-4-5-8(12)3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyJVVRVZLENPSDSP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.19
Rot. Bonds1

About 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide

2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 62364532) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID62364532
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCCC1C
InChIInChI=1S/C9H19N3/c1-7(2)11-9(10)12-6-4-5-8(12)3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyJVVRVZLENPSDSP-UHFFFAOYSA-N
XLogP1.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-propan-2-ylpyrrolidine-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 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide (CID 62364532) is 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide is CC(C)/N=C(\N)N1CCCC1C.
What is the InChIKey of 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is JVVRVZLENPSDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)11-9(10)12-6-4-5-8(12)3/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 62364532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).