N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide

C10H21N3O2 — CID 76924799

IUPACN-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NCC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(8(11)13-15)9(14)12-6-10(2,3)4/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFWHFYRRYVRJZHJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.92
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide

N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76924799) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76924799
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NCC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(8(11)13-15)9(14)12-6-10(2,3)4/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFWHFYRRYVRJZHJ-UHFFFAOYSA-N
XLogP0.92
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.92
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

2-(N'-hydroxycarbamimidoyl)-N-(2,3,3-trimethylbutyl)butanamide
CID 83143925
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76928581
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350697
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925722
N-(2-ethoxy-2-methylpropyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 104985210
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 55097504
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-(N'-hydroxycarbamimidoyl)-N-(5-methylsulfanylpentyl)butanamide
CID 114128844
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
N-[2-(2,2-difluoroethoxy)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 114128850
2-(N'-hydroxycarbamimidoyl)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 76975567
N-[2-(4-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925228

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76924799) is N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)NCC(C)(C)C)C(N)=NO.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is FWHFYRRYVRJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-7(8(11)13-15)9(14)12-6-10(2,3)4/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 215.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76924799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).