N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide

C11H21N3O2 — CID 76926462

IUPACN-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC1CCCC1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-2-5-9(10(12)14-16)11(15)13-8-6-3-4-7-8/h8-9,16H,2-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBDHIYCBOHBMSMM-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.21
Rot. Bonds5

About N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide

N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76926462) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76926462
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC1CCCC1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-2-5-9(10(12)14-16)11(15)13-8-6-3-4-7-8/h8-9,16H,2-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBDHIYCBOHBMSMM-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76924132
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76926462) is N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NC1CCCC1)C(N)=NO.
What is the InChIKey of N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is BDHIYCBOHBMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-5-9(10(12)14-16)11(15)13-8-6-3-4-7-8/h8-9,16H,2-7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 227.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76926462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).