1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine

C11H21N3 — CID 123596120

IUPAC1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine
SMILESCC=C(C)/C(=N\C)N1CCC(NC)C1
InChIInChI=1S/C11H21N3/c1-5-9(2)11(13-4)14-7-6-10(8-14)12-3/h5,10,12H,6-8H2,1-4H3/b9-5?,13-11+
InChIKeyFOQFXXMCNLEAMU-SRZWZBBXSA-N
MW195.31 g/mol
LogP1.27
Rot. Bonds2

About 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine

1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine (PubChem CID 123596120) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine
PubChem CID123596120
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine
SMILESCC=C(C)/C(=N\C)N1CCC(NC)C1
InChIInChI=1S/C11H21N3/c1-5-9(2)11(13-4)14-7-6-10(8-14)12-3/h5,10,12H,6-8H2,1-4H3/b9-5?,13-11+
InChIKeyFOQFXXMCNLEAMU-SRZWZBBXSA-N
XLogP1.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.27
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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Related Compounds

(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide
CID 143883061
(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
CID 118972865
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-(1,5-Dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine
CID 123879082
acetylene;N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551777
(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide
CID 166764347
1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
CID 170576846
(Z)-2-methyl-N,N'-di(propan-2-yl)but-2-enimidamide
CID 133666079
N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551778

Frequently Asked Questions

What is the IUPAC name of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine (CID 123596120) is 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine is CC=C(C)/C(=N\C)N1CCC(NC)C1.
What is the InChIKey of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine?
The InChIKey is FOQFXXMCNLEAMU-SRZWZBBXSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-9(2)11(13-4)14-7-6-10(8-14)12-3/h5,10,12H,6-8H2,1-4H3/b9-5?,13-11+.
What are the key properties of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine?
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine has a molecular weight of 195.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 123596120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).