N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide

C9H19N3 — CID 59020838

IUPACN-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CCN1CCCC1
InChIInChI=1S/C9H19N3/c1-9(10)11(2)7-8-12-5-3-4-6-12/h10H,3-8H2,1-2H3/b10-9+
InChIKeyAGRMLLLEMIWLKK-MDZDMXLPSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds3

About N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide

N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide (PubChem CID 59020838) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide
PubChem CID59020838
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CCN1CCCC1
InChIInChI=1S/C9H19N3/c1-9(10)11(2)7-8-12-5-3-4-6-12/h10H,3-8H2,1-2H3/b10-9+
InChIKeyAGRMLLLEMIWLKK-MDZDMXLPSA-N
XLogP1.01
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide (CID 59020838) is N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide is [H]/N=C(\C)N(C)CCN1CCCC1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide?
The InChIKey is AGRMLLLEMIWLKK-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(10)11(2)7-8-12-5-3-4-6-12/h10H,3-8H2,1-2H3/b10-9+.
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide?
N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanimidamide is sourced from PubChem (CID 59020838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).