ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide

C14H27N3O2 — CID 171565054

IUPACethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
SMILESCC.CC.CC(C)=C/N=C(\N)C1CCC(=O)NC1=O
InChIInChI=1S/C10H15N3O2.2C2H6/c1-6(2)5-12-9(11)7-3-4-8(14)13-10(7)15;2*1-2/h5,7H,3-4H2,1-2H3,(H2,11,12)(H,13,14,15);2*1-2H3
InChIKeyAHJBPYAGYDFDQW-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.37
Rot. Bonds2

About ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide

ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide (PubChem CID 171565054) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide.

Molecular Properties

Compound Nameethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
PubChem CID171565054
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nameethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
SMILESCC.CC.CC(C)=C/N=C(\N)C1CCC(=O)NC1=O
InChIInChI=1S/C10H15N3O2.2C2H6/c1-6(2)5-12-9(11)7-3-4-8(14)13-10(7)15;2*1-2/h5,7H,3-4H2,1-2H3,(H2,11,12)(H,13,14,15);2*1-2H3
InChIKeyAHJBPYAGYDFDQW-UHFFFAOYSA-N
XLogP2.37
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
CID 177338978
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
CID 172570194
3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium
CID 170003315
(3R)-3-aminopiperidine-2,6-dione;hydrobromide
CID 69352156
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
1-(2,6-dioxopiperidin-3-yl)cyclobutane-1-carboxamide
CID 176899722
ethane;(3E,5Z)-3-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-one;3-methylpiperidine-2,6-dione
CID 153330323

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide?
The IUPAC name of ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide (CID 171565054) is ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide.
What is the SMILES notation for ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide?
The canonical SMILES for ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide is CC.CC.CC(C)=C/N=C(\N)C1CCC(=O)NC1=O.
What is the InChIKey of ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide?
The InChIKey is AHJBPYAGYDFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.2C2H6/c1-6(2)5-12-9(11)7-3-4-8(14)13-10(7)15;2*1-2/h5,7H,3-4H2,1-2H3,(H2,11,12)(H,13,14,15);2*1-2H3.
What are the key properties of ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide?
ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide has a molecular weight of 269.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide is sourced from PubChem (CID 171565054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).