N'-tert-butyl-3-oxopiperazine-1-carboximidamide

C9H18N4O — CID 62359559

IUPACN'-tert-butyl-3-oxopiperazine-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C9H18N4O/c1-9(2,3)12-8(10)13-5-4-11-7(14)6-13/h4-6H2,1-3H3,(H2,10,12)(H,11,14)
InChIKeyYMLODRXKHLDDLF-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.47
Rot. Bonds

About N'-tert-butyl-3-oxopiperazine-1-carboximidamide

N'-tert-butyl-3-oxopiperazine-1-carboximidamide (PubChem CID 62359559) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-tert-butyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-oxopiperazine-1-carboximidamide
PubChem CID62359559
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN'-tert-butyl-3-oxopiperazine-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C9H18N4O/c1-9(2,3)12-8(10)13-5-4-11-7(14)6-13/h4-6H2,1-3H3,(H2,10,12)(H,11,14)
InChIKeyYMLODRXKHLDDLF-UHFFFAOYSA-N
XLogP-0.47
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.47
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'}

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Related Compounds

N-tert-butyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376351
N-ethyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109377263
N-tert-butyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109378621
N-tert-butyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109378622
2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide
CID 109378634
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111493829
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493830
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493866
2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N,N'-dimethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501461
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501469
N-tert-butyl-2-[[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]amino]acetamide
CID 111501505
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501507

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-3-oxopiperazine-1-carboximidamide (CID 62359559) is N'-tert-butyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-3-oxopiperazine-1-carboximidamide is CC(C)(C)/N=C(\N)N1CCNC(=O)C1.
What is the InChIKey of N'-tert-butyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is YMLODRXKHLDDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2,3)12-8(10)13-5-4-11-7(14)6-13/h4-6H2,1-3H3,(H2,10,12)(H,11,14).
What are the key properties of N'-tert-butyl-3-oxopiperazine-1-carboximidamide?
N'-tert-butyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 198.27 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 62359559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).