2-(2-methylpiperidin-1-yl)ethanimidamide

C8H17N3 — CID 24700346

IUPAC2-(2-methylpiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCCCC1C
InChIInChI=1S/C8H17N3/c1-7-4-2-3-5-11(7)6-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyKBLKRISKLLETMM-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-methylpiperidin-1-yl)ethanimidamide

2-(2-methylpiperidin-1-yl)ethanimidamide (PubChem CID 24700346) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)ethanimidamide
PubChem CID24700346
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-(2-methylpiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCCCC1C
InChIInChI=1S/C8H17N3/c1-7-4-2-3-5-11(7)6-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyKBLKRISKLLETMM-UHFFFAOYSA-N
XLogP0.80
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(2-methylpiperidin-1-yl)ethanimidamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)ethanimidamide (CID 24700346) is 2-(2-methylpiperidin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)ethanimidamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CCCCC1C.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)ethanimidamide?
The InChIKey is KBLKRISKLLETMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7-4-2-3-5-11(7)6-8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 2-(2-methylpiperidin-1-yl)ethanimidamide?
2-(2-methylpiperidin-1-yl)ethanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)ethanimidamide is sourced from PubChem (CID 24700346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).