3-propan-2-ylpyrrolidine-1-carboximidamide

C8H17N3 — CID 21018804

IUPAC3-propan-2-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(C)C)C1
InChIInChI=1S/C8H17N3/c1-6(2)7-3-4-11(5-7)8(9)10/h6-7H,3-5H2,1-2H3,(H3,9,10)
InChIKeyBQDLDJBQGNZMTM-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.86
Rot. Bonds1

About 3-propan-2-ylpyrrolidine-1-carboximidamide

3-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 21018804) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 3-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID21018804
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name3-propan-2-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(C)C)C1
InChIInChI=1S/C8H17N3/c1-6(2)7-3-4-11(5-7)8(9)10/h6-7H,3-5H2,1-2H3,(H3,9,10)
InChIKeyBQDLDJBQGNZMTM-UHFFFAOYSA-N
XLogP0.86
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.86
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 3-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-propan-2-ylpyrrolidine-1-carboximidamide (CID 21018804) is 3-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-propan-2-ylpyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C(C)C)C1.
What is the InChIKey of 3-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is BQDLDJBQGNZMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-6(2)7-3-4-11(5-7)8(9)10/h6-7H,3-5H2,1-2H3,(H3,9,10).
What are the key properties of 3-propan-2-ylpyrrolidine-1-carboximidamide?
3-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 155.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 21018804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).