N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide

C12H23N3O2 — CID 80593987

IUPACN-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
SMILESCC(C)C(C)CNC(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C12H23N3O2/c1-8(2)9(3)7-14-11(16)12(5-4-6-12)10(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeySXASHWHVCOOEBR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.31
Rot. Bonds5

About N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide

N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide (PubChem CID 80593987) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
PubChem CID80593987
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
SMILESCC(C)C(C)CNC(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C12H23N3O2/c1-8(2)9(3)7-14-11(16)12(5-4-6-12)10(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeySXASHWHVCOOEBR-UHFFFAOYSA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.31
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 76920434
1-(N'-hydroxycarbamimidoyl)-N-(2-methoxypropyl)cycloheptane-1-carboxamide
CID 102699996
1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80596756
1-(N'-hydroxycarbamimidoyl)-N-(3-methoxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 76930746
1-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylpropyl)cyclopropane-1-carboxamide
CID 104861520
1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 80599385
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920298
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920211
N-[3-(ethylamino)-3-oxopropyl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 113410980
1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide
CID 80596985
1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 80590754

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide (CID 80593987) is N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide is CC(C)C(C)CNC(=O)C1(C(N)=NO)CCC1.
What is the InChIKey of N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The InChIKey is SXASHWHVCOOEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)9(3)7-14-11(16)12(5-4-6-12)10(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80593987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).