N'-(4-amino-5-oxohexyl)pentanimidamide

C11H23N3O — CID 123961015

IUPACN'-(4-amino-5-oxohexyl)pentanimidamide
SMILESCCCC/C(N)=N\CCCC(N)C(C)=O
InChIInChI=1S/C11H23N3O/c1-3-4-7-11(13)14-8-5-6-10(12)9(2)15/h10H,3-8,12H2,1-2H3,(H2,13,14)
InChIKeyRHHDIVCEUJMGAA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.23
Rot. Bonds8

About N'-(4-amino-5-oxohexyl)pentanimidamide

N'-(4-amino-5-oxohexyl)pentanimidamide (PubChem CID 123961015) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-(4-amino-5-oxohexyl)pentanimidamide.

Molecular Properties

Compound NameN'-(4-amino-5-oxohexyl)pentanimidamide
PubChem CID123961015
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-(4-amino-5-oxohexyl)pentanimidamide
SMILESCCCC/C(N)=N\CCCC(N)C(C)=O
InChIInChI=1S/C11H23N3O/c1-3-4-7-11(13)14-8-5-6-10(12)9(2)15/h10H,3-8,12H2,1-2H3,(H2,13,14)
InChIKeyRHHDIVCEUJMGAA-UHFFFAOYSA-N
XLogP1.23
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.23
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

Deoxy-methyl-arginine
CID 5287607
N-(5-Amino-6-oxo-heptyl)-acetamidine
CID 44393463
N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide
CID 158121163
2-(4-Amino-5-oxohexyl)guanidine
CID 4473079
4-Amino-5-oxohexanimidamide
CID 20765356
N'-[4-(methylamino)-5-oxohexyl]ethanimidamide
CID 21338647
N'-[(5S)-5-amino-6-oxoheptyl]ethanimidamide
CID 53636888
N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide
CID 54238237
2-[(4S)-4-amino-5-oxoheptyl]guanidine
CID 57177633
2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine
CID 57212739
2-[(4S)-4-amino-5-oxooctyl]guanidine
CID 57908857
N'-[(4R)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide
CID 59223301

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-5-oxohexyl)pentanimidamide?
The IUPAC name of N'-(4-amino-5-oxohexyl)pentanimidamide (CID 123961015) is N'-(4-amino-5-oxohexyl)pentanimidamide.
What is the SMILES notation for N'-(4-amino-5-oxohexyl)pentanimidamide?
The canonical SMILES for N'-(4-amino-5-oxohexyl)pentanimidamide is CCCC/C(N)=N\CCCC(N)C(C)=O.
What is the InChIKey of N'-(4-amino-5-oxohexyl)pentanimidamide?
The InChIKey is RHHDIVCEUJMGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-4-7-11(13)14-8-5-6-10(12)9(2)15/h10H,3-8,12H2,1-2H3,(H2,13,14).
What are the key properties of N'-(4-amino-5-oxohexyl)pentanimidamide?
N'-(4-amino-5-oxohexyl)pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-5-oxohexyl)pentanimidamide is sourced from PubChem (CID 123961015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).