N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide

C11H21N3 — CID 143551778

IUPACN'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
SMILESCC/N=C(\C=C(C)C)NC1CCNC1
InChIInChI=1S/C11H21N3/c1-4-13-11(7-9(2)3)14-10-5-6-12-8-10/h7,10,12H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyABKMSWVWUAIJFP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.32
Rot. Bonds3

About N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide

N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide (PubChem CID 143551778) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide.

Molecular Properties

Compound NameN'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
PubChem CID143551778
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
SMILESCC/N=C(\C=C(C)C)NC1CCNC1
InChIInChI=1S/C11H21N3/c1-4-13-11(7-9(2)3)14-10-5-6-12-8-10/h7,10,12H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyABKMSWVWUAIJFP-UHFFFAOYSA-N
XLogP1.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
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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Related Compounds

(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide
CID 143883061
1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine
CID 123505707
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine
CID 123596120
3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide
CID 130433854
acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551777
1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
CID 170576846
3-methyl-N-propan-2-yl-2H-pyrrol-5-amine
CID 157236857

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
The IUPAC name of N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide (CID 143551778) is N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide.
What is the SMILES notation for N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
The canonical SMILES for N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide is CC/N=C(\C=C(C)C)NC1CCNC1.
What is the InChIKey of N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
The InChIKey is ABKMSWVWUAIJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-13-11(7-9(2)3)14-10-5-6-12-8-10/h7,10,12H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide is sourced from PubChem (CID 143551778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).