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

C13H23N3 — CID 143551777

IUPACacetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
SMILESC#C.CC/N=C(\C=C(C)C)NC1CCNC1
InChIInChI=1S/C11H21N3.C2H2/c1-4-13-11(7-9(2)3)14-10-5-6-12-8-10;1-2/h7,10,12H,4-6,8H2,1-3H3,(H,13,14);1-2H
InChIKeyZJXNTKMXOFAFAS-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.57
Rot. Bonds3

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

acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide (PubChem CID 143551777) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide.

Molecular Properties

Compound Nameacetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
PubChem CID143551777
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Nameacetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
SMILESC#C.CC/N=C(\C=C(C)C)NC1CCNC1
InChIInChI=1S/C11H21N3.C2H2/c1-4-13-11(7-9(2)3)14-10-5-6-12-8-10;1-2/h7,10,12H,4-6,8H2,1-3H3,(H,13,14);1-2H
InChIKeyZJXNTKMXOFAFAS-UHFFFAOYSA-N
XLogP1.57
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.57
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
CID 170576846
N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551778

Frequently Asked Questions

What is the IUPAC name of acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
The IUPAC name of acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide (CID 143551777) is acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide.
What is the SMILES notation for acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
The canonical SMILES for acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide is C#C.CC/N=C(\C=C(C)C)NC1CCNC1.
What is the InChIKey of acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
The InChIKey is ZJXNTKMXOFAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.C2H2/c1-4-13-11(7-9(2)3)14-10-5-6-12-8-10;1-2/h7,10,12H,4-6,8H2,1-3H3,(H,13,14);1-2H.
What are the key properties of acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide?
acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide has a molecular weight of 221.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide is sourced from PubChem (CID 143551777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).