N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide

C13H27N3O — CID 90757765

IUPACN'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide
SMILESCCCC/C(N)=N\CCCC(N)C(=O)C(C)C
InChIInChI=1S/C13H27N3O/c1-4-5-8-12(15)16-9-6-7-11(14)13(17)10(2)3/h10-11H,4-9,14H2,1-3H3,(H2,15,16)
InChIKeyQMAFNPUWCOAFLO-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.87
Rot. Bonds9

About N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide

N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide (PubChem CID 90757765) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide.

Molecular Properties

Compound NameN'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide
PubChem CID90757765
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide
SMILESCCCC/C(N)=N\CCCC(N)C(=O)C(C)C
InChIInChI=1S/C13H27N3O/c1-4-5-8-12(15)16-9-6-7-11(14)13(17)10(2)3/h10-11H,4-9,14H2,1-3H3,(H2,15,16)
InChIKeyQMAFNPUWCOAFLO-UHFFFAOYSA-N
XLogP1.87
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-Amino-6-oxo-heptyl)-acetamidine
CID 44393463
N'-[(5S)-5-amino-6-oxoheptyl]ethanimidamide
CID 53636888
2-[(4S,7S)-4,7-diamino-9-methyl-5,6-dioxodecyl]guanidine
CID 57036526
2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine
CID 57184499
2-(4-Amino-6-methyl-5-oxoheptyl)guanidine
CID 58593150
N'-(4-methyl-5-oxohexyl)ethanimidamide
CID 58871599
2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine
CID 59022410
2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine
CID 59022411
N'-[(4R)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide
CID 59223301
N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide
CID 59350251
2-[(5S)-5-amino-7-methyl-6-oxooctyl]guanidine
CID 59350252
N'-(4-amino-5-oxohexyl)ethanimidamide
CID 60000891

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide?
The IUPAC name of N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide (CID 90757765) is N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide.
What is the SMILES notation for N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide?
The canonical SMILES for N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide is CCCC/C(N)=N\CCCC(N)C(=O)C(C)C.
What is the InChIKey of N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide?
The InChIKey is QMAFNPUWCOAFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-5-8-12(15)16-9-6-7-11(14)13(17)10(2)3/h10-11H,4-9,14H2,1-3H3,(H2,15,16).
What are the key properties of N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide?
N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide is sourced from PubChem (CID 90757765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).