1-piperidin-1-ylbutan-1-imine

C9H18N2 — CID 63178584

IUPAC1-piperidin-1-ylbutan-1-imine
SMILES[H]/N=C(\CCC)N1CCCCC1
InChIInChI=1S/C9H18N2/c1-2-6-9(10)11-7-4-3-5-8-11/h10H,2-8H2,1H3/b10-9+
InChIKeyTTXSTEFOCDQATL-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.25
Rot. Bonds2

About 1-piperidin-1-ylbutan-1-imine

1-piperidin-1-ylbutan-1-imine (PubChem CID 63178584) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-piperidin-1-ylbutan-1-imine.

Molecular Properties

Compound Name1-piperidin-1-ylbutan-1-imine
PubChem CID63178584
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-piperidin-1-ylbutan-1-imine
SMILES[H]/N=C(\CCC)N1CCCCC1
InChIInChI=1S/C9H18N2/c1-2-6-9(10)11-7-4-3-5-8-11/h10H,2-8H2,1H3/b10-9+
InChIKeyTTXSTEFOCDQATL-MDZDMXLPSA-N
XLogP2.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-piperidin-1-ylbutan-1-imine?
The IUPAC name of 1-piperidin-1-ylbutan-1-imine (CID 63178584) is 1-piperidin-1-ylbutan-1-imine.
What is the SMILES notation for 1-piperidin-1-ylbutan-1-imine?
The canonical SMILES for 1-piperidin-1-ylbutan-1-imine is [H]/N=C(\CCC)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylbutan-1-imine?
The InChIKey is TTXSTEFOCDQATL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-6-9(10)11-7-4-3-5-8-11/h10H,2-8H2,1H3/b10-9+.
What are the key properties of 1-piperidin-1-ylbutan-1-imine?
1-piperidin-1-ylbutan-1-imine has a molecular weight of 154.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylbutan-1-imine is sourced from PubChem (CID 63178584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).