ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide

C12H26N4 — CID 142313234

IUPACethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
SMILESCC.[H]/N=C(\C)N(/C(C)=N/[H])C1CCN(C)CC1
InChIInChI=1S/C10H20N4.C2H6/c1-8(11)14(9(2)12)10-4-6-13(3)7-5-10;1-2/h10-12H,4-7H2,1-3H3;1-2H3/b11-8+,12-9+;
InChIKeyYARBICKYAGGGMH-OKNPDPIESA-N
MW226.37 g/mol
LogP2.40
Rot. Bonds1

About ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide

ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide (PubChem CID 142313234) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide.

Molecular Properties

Compound Nameethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
PubChem CID142313234
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Nameethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
SMILESCC.[H]/N=C(\C)N(/C(C)=N/[H])C1CCN(C)CC1
InChIInChI=1S/C10H20N4.C2H6/c1-8(11)14(9(2)12)10-4-6-13(3)7-5-10;1-2/h10-12H,4-7H2,1-3H3;1-2H3/b11-8+,12-9+;
InChIKeyYARBICKYAGGGMH-OKNPDPIESA-N
XLogP2.40
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
The IUPAC name of ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide (CID 142313234) is ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide.
What is the SMILES notation for ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
The canonical SMILES for ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide is CC.[H]/N=C(\C)N(/C(C)=N/[H])C1CCN(C)CC1.
What is the InChIKey of ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
The InChIKey is YARBICKYAGGGMH-OKNPDPIESA-N. The full InChI is InChI=1S/C10H20N4.C2H6/c1-8(11)14(9(2)12)10-4-6-13(3)7-5-10;1-2/h10-12H,4-7H2,1-3H3;1-2H3/b11-8+,12-9+;.
What are the key properties of ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide has a molecular weight of 226.37 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide is sourced from PubChem (CID 142313234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).