N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide

C12H23N3O2 — CID 104982293

IUPACN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)8-10(16)14-12(11(13)15-17)6-4-5-7-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeySZPSOERYINRKBZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide

N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide (PubChem CID 104982293) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
PubChem CID104982293
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)8-10(16)14-12(11(13)15-17)6-4-5-7-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeySZPSOERYINRKBZ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
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

1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
CID 79161293
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
3-ethoxy-N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]propanamide
CID 76947053
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940428
4,4,4-trifluoro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]butanamide
CID 77099659
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 103940438
3-methyl-N-(4-methylpiperidin-4-yl)pentanamide
CID 114875717
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide (CID 104982293) is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide is CCC(C)CC(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide?
The InChIKey is SZPSOERYINRKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(2)8-10(16)14-12(11(13)15-17)6-4-5-7-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide?
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide is sourced from PubChem (CID 104982293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).