N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide

C10H16N4O2 — CID 123913713

IUPACN-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide
SMILESC=NN(/C=N/C)CCN1C(=O)CCCC1=O
InChIInChI=1S/C10H16N4O2/c1-11-8-13(12-2)6-7-14-9(15)4-3-5-10(14)16/h8H,2-7H2,1H3/b11-8+
InChIKeyMRNCUZHRWNKRLR-DHZHZOJOSA-N
MW224.26 g/mol
LogP0.10
Rot. Bonds5

About N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide

N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide (PubChem CID 123913713) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide
PubChem CID123913713
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide
SMILESC=NN(/C=N/C)CCN1C(=O)CCCC1=O
InChIInChI=1S/C10H16N4O2/c1-11-8-13(12-2)6-7-14-9(15)4-3-5-10(14)16/h8H,2-7H2,1H3/b11-8+
InChIKeyMRNCUZHRWNKRLR-DHZHZOJOSA-N
XLogP0.10
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide (CID 123913713) is N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide is C=NN(/C=N/C)CCN1C(=O)CCCC1=O.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide?
The InChIKey is MRNCUZHRWNKRLR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-11-8-13(12-2)6-7-14-9(15)4-3-5-10(14)16/h8H,2-7H2,1H3/b11-8+.
What are the key properties of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide?
N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide has a molecular weight of 224.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N'-methyl-N-(methylideneamino)methanimidamide is sourced from PubChem (CID 123913713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).