2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide

C11H21N3O2 — CID 104861584

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
SMILESCCCC(C(=O)NC1CC(C)C1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-3-4-9(10(12)14-16)11(15)13-8-5-7(2)6-8/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyHYHQBZFQZAJAEB-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.06
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide (PubChem CID 104861584) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
PubChem CID104861584
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
SMILESCCCC(C(=O)NC1CC(C)C1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-3-4-9(10(12)14-16)11(15)13-8-5-7(2)6-8/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyHYHQBZFQZAJAEB-UHFFFAOYSA-N
XLogP1.06
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.06
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

N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 104861590
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
CID 76923919
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 79181074
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79350952
N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926369

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide (CID 104861584) is 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide is CCCC(C(=O)NC1CC(C)C1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide?
The InChIKey is HYHQBZFQZAJAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-4-9(10(12)14-16)11(15)13-8-5-7(2)6-8/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide has a molecular weight of 227.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide is sourced from PubChem (CID 104861584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).