N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

C13H25N3O2 — CID 77050596

IUPACN-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC1CCC(C)C1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-5-10(12(14)16-18)13(17)15-11-7-6-8(2)9(11)3/h8-11,18H,4-7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyUDMIUJWJYFLMOG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.70
Rot. Bonds5

About N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 77050596) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID77050596
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC1CCC(C)C1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-5-10(12(14)16-18)13(17)15-11-7-6-8(2)9(11)3/h8-11,18H,4-7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyUDMIUJWJYFLMOG-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.70
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
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
CID 76924883
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
CID 76923919
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 79181074
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-amino-N-(2,3-dimethylcyclopentyl)propanamide
CID 64909126
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 77050596) is N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NC1CCC(C)C1C)C(N)=NO.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is UDMIUJWJYFLMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-10(12(14)16-18)13(17)15-11-7-6-8(2)9(11)3/h8-11,18H,4-7H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 255.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 77050596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).