N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide

C13H23N5O2 — CID 104887058

IUPACN-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCC1(C)C(=O)NC(=O)CN1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H23N5O2/c1-13(2)11(20)16-10(19)8-18(13)12(17-14)15-9-6-4-3-5-7-9/h9H,3-8,14H2,1-2H3,(H,15,17)(H,16,19,20)
InChIKeyORSGQXMANKTLIN-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.12
Rot. Bonds1

About N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide

N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 104887058) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID104887058
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCC1(C)C(=O)NC(=O)CN1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H23N5O2/c1-13(2)11(20)16-10(19)8-18(13)12(17-14)15-9-6-4-3-5-7-9/h9H,3-8,14H2,1-2H3,(H,15,17)(H,16,19,20)
InChIKeyORSGQXMANKTLIN-UHFFFAOYSA-N
XLogP-0.12
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide (CID 104887058) is N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide is CC1(C)C(=O)NC(=O)CN1/C(=N/C1CCCCC1)NN.
What is the InChIKey of N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is ORSGQXMANKTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(2)11(20)16-10(19)8-18(13)12(17-14)15-9-6-4-3-5-7-9/h9H,3-8,14H2,1-2H3,(H,15,17)(H,16,19,20).
What are the key properties of N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide?
N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 281.36 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 104887058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).