2-(2-methylpropyl)pyrrolidine-1-carboximidamide

C9H19N3 — CID 21018800

IUPAC2-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1CC(C)C
InChIInChI=1S/C9H19N3/c1-7(2)6-8-4-3-5-12(8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyRELPKPUJMYIRTI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds2

About 2-(2-methylpropyl)pyrrolidine-1-carboximidamide

2-(2-methylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 21018800) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrrolidine-1-carboximidamide
PubChem CID21018800
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1CC(C)C
InChIInChI=1S/C9H19N3/c1-7(2)6-8-4-3-5-12(8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyRELPKPUJMYIRTI-UHFFFAOYSA-N
XLogP1.39
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 2-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 2-(2-methylpropyl)pyrrolidine-1-carboximidamide (CID 21018800) is 2-(2-methylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-(2-methylpropyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is RELPKPUJMYIRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)6-8-4-3-5-12(8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-(2-methylpropyl)pyrrolidine-1-carboximidamide?
2-(2-methylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 21018800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).