N'-(3-amino-2-oxobutyl)pentanimidamide

C9H19N3O — CID 123935037

IUPACN'-(3-amino-2-oxobutyl)pentanimidamide
SMILESCCCC/C(N)=N\CC(=O)C(C)N
InChIInChI=1S/C9H19N3O/c1-3-4-5-9(11)12-6-8(13)7(2)10/h7H,3-6,10H2,1-2H3,(H2,11,12)
InChIKeyAXIPNQIUPKVRCE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.45
Rot. Bonds6

About N'-(3-amino-2-oxobutyl)pentanimidamide

N'-(3-amino-2-oxobutyl)pentanimidamide (PubChem CID 123935037) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-(3-amino-2-oxobutyl)pentanimidamide.

Molecular Properties

Compound NameN'-(3-amino-2-oxobutyl)pentanimidamide
PubChem CID123935037
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-(3-amino-2-oxobutyl)pentanimidamide
SMILESCCCC/C(N)=N\CC(=O)C(C)N
InChIInChI=1S/C9H19N3O/c1-3-4-5-9(11)12-6-8(13)7(2)10/h7H,3-6,10H2,1-2H3,(H2,11,12)
InChIKeyAXIPNQIUPKVRCE-UHFFFAOYSA-N
XLogP0.45
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
N'-(4-amino-5-oxohexyl)ethanimidamide
CID 60000891
N'-(4-amino-5-oxoheptyl)propanimidamide
CID 90788141
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
N'-(3-oxopentyl)propanimidamide
CID 91186372
N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide
CID 118636674
N'-(4-amino-5-oxohexyl)pentanimidamide
CID 123961015
N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide
CID 126612660
N'-[(4S)-4-amino-5-oxohexyl]ethanimidamide
CID 126612661
2-oxo-N'-propan-2-ylpentanimidamide
CID 139406933
[6-(1-Aminoethylideneamino)-2-oxohexan-3-yl]azanium
CID 142367126

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-2-oxobutyl)pentanimidamide?
The IUPAC name of N'-(3-amino-2-oxobutyl)pentanimidamide (CID 123935037) is N'-(3-amino-2-oxobutyl)pentanimidamide.
What is the SMILES notation for N'-(3-amino-2-oxobutyl)pentanimidamide?
The canonical SMILES for N'-(3-amino-2-oxobutyl)pentanimidamide is CCCC/C(N)=N\CC(=O)C(C)N.
What is the InChIKey of N'-(3-amino-2-oxobutyl)pentanimidamide?
The InChIKey is AXIPNQIUPKVRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-4-5-9(11)12-6-8(13)7(2)10/h7H,3-6,10H2,1-2H3,(H2,11,12).
What are the key properties of N'-(3-amino-2-oxobutyl)pentanimidamide?
N'-(3-amino-2-oxobutyl)pentanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-2-oxobutyl)pentanimidamide is sourced from PubChem (CID 123935037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).