3-methyl-N'-propylpyrrolidine-1-carboximidamide

C9H19N3 — CID 62362782

IUPAC3-methyl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(C)C1
InChIInChI=1S/C9H19N3/c1-3-5-11-9(10)12-6-4-8(2)7-12/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyHXIRTHCJWBSVNI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-N'-propylpyrrolidine-1-carboximidamide

3-methyl-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 62362782) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-propylpyrrolidine-1-carboximidamide
PubChem CID62362782
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-methyl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(C)C1
InChIInChI=1S/C9H19N3/c1-3-5-11-9(10)12-6-4-8(2)7-12/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyHXIRTHCJWBSVNI-UHFFFAOYSA-N
XLogP1.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-propylpyrrolidine-1-carboximidamide (CID 62362782) is 3-methyl-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\N)N1CCC(C)C1.
What is the InChIKey of 3-methyl-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is HXIRTHCJWBSVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-5-11-9(10)12-6-4-8(2)7-12/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 3-methyl-N'-propylpyrrolidine-1-carboximidamide?
3-methyl-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 62362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).