6-methyl-1-propanimidoylpiperidin-2-imine

C9H17N3 — CID 155700442

IUPAC6-methyl-1-propanimidoylpiperidin-2-imine
SMILES[H]/N=C(\CC)N1/C(=N/[H])CCCC1C
InChIInChI=1S/C9H17N3/c1-3-8(10)12-7(2)5-4-6-9(12)11/h7,10-11H,3-6H2,1-2H3/b10-8+,11-9+
InChIKeyLHQJXYJUTRULCF-GFULKKFKSA-N
MW167.26 g/mol
LogP2.23
Rot. Bonds1

About 6-methyl-1-propanimidoylpiperidin-2-imine

6-methyl-1-propanimidoylpiperidin-2-imine (PubChem CID 155700442) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 6-methyl-1-propanimidoylpiperidin-2-imine.

Molecular Properties

Compound Name6-methyl-1-propanimidoylpiperidin-2-imine
PubChem CID155700442
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name6-methyl-1-propanimidoylpiperidin-2-imine
SMILES[H]/N=C(\CC)N1/C(=N/[H])CCCC1C
InChIInChI=1S/C9H17N3/c1-3-8(10)12-7(2)5-4-6-9(12)11/h7,10-11H,3-6H2,1-2H3/b10-8+,11-9+
InChIKeyLHQJXYJUTRULCF-GFULKKFKSA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.23
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 6-methyl-1-propanimidoylpiperidin-2-imine?
The IUPAC name of 6-methyl-1-propanimidoylpiperidin-2-imine (CID 155700442) is 6-methyl-1-propanimidoylpiperidin-2-imine.
What is the SMILES notation for 6-methyl-1-propanimidoylpiperidin-2-imine?
The canonical SMILES for 6-methyl-1-propanimidoylpiperidin-2-imine is [H]/N=C(\CC)N1/C(=N/[H])CCCC1C.
What is the InChIKey of 6-methyl-1-propanimidoylpiperidin-2-imine?
The InChIKey is LHQJXYJUTRULCF-GFULKKFKSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8(10)12-7(2)5-4-6-9(12)11/h7,10-11H,3-6H2,1-2H3/b10-8+,11-9+.
What are the key properties of 6-methyl-1-propanimidoylpiperidin-2-imine?
6-methyl-1-propanimidoylpiperidin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propanimidoylpiperidin-2-imine is sourced from PubChem (CID 155700442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).