N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide

C8H16N6O — CID 83036781

IUPACN-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCNC(=O)C1CC
InChIInChI=1S/C8H16N6O/c1-2-5-6(15)12-3-4-14(5)8(11)13-7(9)10/h5H,2-4H2,1H3,(H,12,15)(H5,9,10,11,13)
InChIKeyUNYWMNULKUNQDW-UHFFFAOYSA-N
MW212.26 g/mol
LogP-1.60
Rot. Bonds1

About N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide

N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide (PubChem CID 83036781) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide
PubChem CID83036781
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC NameN-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCNC(=O)C1CC
InChIInChI=1S/C8H16N6O/c1-2-5-6(15)12-3-4-14(5)8(11)13-7(9)10/h5H,2-4H2,1H3,(H,12,15)(H5,9,10,11,13)
InChIKeyUNYWMNULKUNQDW-UHFFFAOYSA-N
XLogP-1.60
TPSA120.59 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
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

N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide
CID 83036780
4-ethanimidoyl-3-ethylpiperazin-2-one
CID 63603080
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one
CID 63603253
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
2-(2-ethyl-3-oxopiperazine-1-carbonyl)-2-propylpentanethioamide
CID 63604392

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide (CID 83036781) is N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCNC(=O)C1CC.
What is the InChIKey of N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is UNYWMNULKUNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-2-5-6(15)12-3-4-14(5)8(11)13-7(9)10/h5H,2-4H2,1H3,(H,12,15)(H5,9,10,11,13).
What are the key properties of N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide?
N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 212.26 g/mol, XLogP of -1.60, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 83036781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).