N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide

C9H16N4O2 — CID 155198914

IUPACN-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide
SMILESNN/C=N/CCCN1C(=O)CCCC1=O
InChIInChI=1S/C9H16N4O2/c10-12-7-11-5-2-6-13-8(14)3-1-4-9(13)15/h7H,1-6,10H2,(H,11,12)
InChIKeyOMVGBPCLDICXGR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.59
Rot. Bonds5

About N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide

N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide (PubChem CID 155198914) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide.

Molecular Properties

Compound NameN-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide
PubChem CID155198914
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide
SMILESNN/C=N/CCCN1C(=O)CCCC1=O
InChIInChI=1S/C9H16N4O2/c10-12-7-11-5-2-6-13-8(14)3-1-4-9(13)15/h7H,1-6,10H2,(H,11,12)
InChIKeyOMVGBPCLDICXGR-UHFFFAOYSA-N
XLogP-0.59
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide?
The IUPAC name of N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide (CID 155198914) is N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide.
What is the SMILES notation for N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide?
The canonical SMILES for N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide is NN/C=N/CCCN1C(=O)CCCC1=O.
What is the InChIKey of N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide?
The InChIKey is OMVGBPCLDICXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-12-7-11-5-2-6-13-8(14)3-1-4-9(13)15/h7H,1-6,10H2,(H,11,12).
What are the key properties of N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide?
N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide has a molecular weight of 212.25 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-[3-(2,6-dioxopiperidin-1-yl)propyl]methanimidamide is sourced from PubChem (CID 155198914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).