2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide

C11H23N3 — CID 83219210

IUPAC2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCCC1CCC(C)N1/C(N)=N/C(C)C
InChIInChI=1S/C11H23N3/c1-5-10-7-6-9(4)14(10)11(12)13-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyKPNFGVDHNHLJQQ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.97
Rot. Bonds2

About 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide

2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 83219210) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID83219210
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCCC1CCC(C)N1/C(N)=N/C(C)C
InChIInChI=1S/C11H23N3/c1-5-10-7-6-9(4)14(10)11(12)13-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyKPNFGVDHNHLJQQ-UHFFFAOYSA-N
XLogP1.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.97
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 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide (CID 83219210) is 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide is CCC1CCC(C)N1/C(N)=N/C(C)C.
What is the InChIKey of 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is KPNFGVDHNHLJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-10-7-6-9(4)14(10)11(12)13-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide?
2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 197.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 83219210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).