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

C13H25N3O2 — CID 76926807

IUPACN-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC1CCCCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-2-7-11(12(14)16-18)13(17)15-10-8-5-3-4-6-9-10/h10-11,18H,2-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyQXTGAIDDWNPRGJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds5

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

N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76926807) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76926807
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NC1CCCCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-2-7-11(12(14)16-18)13(17)15-10-8-5-3-4-6-9-10/h10-11,18H,2-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyQXTGAIDDWNPRGJ-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-(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-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925273
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76924132

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76926807) is N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NC1CCCCCC1)C(N)=NO.
What is the InChIKey of N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is QXTGAIDDWNPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-7-11(12(14)16-18)13(17)15-10-8-5-3-4-6-9-10/h10-11,18H,2-9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 255.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76926807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).