(E)-3-methyl-N-piperidin-1-ylbutan-1-imine

C10H20N2 — CID 24948880

IUPAC(E)-3-methyl-N-piperidin-1-ylbutan-1-imine
SMILESCC(C)C/C=N/N1CCCCC1
InChIInChI=1S/C10H20N2/c1-10(2)6-7-11-12-8-4-3-5-9-12/h7,10H,3-6,8-9H2,1-2H3/b11-7+
InChIKeyKIRURKKVGBJLSV-YRNVUSSQSA-N
MW168.28 g/mol
LogP2.50
Rot. Bonds3

About (E)-3-methyl-N-piperidin-1-ylbutan-1-imine

(E)-3-methyl-N-piperidin-1-ylbutan-1-imine (PubChem CID 24948880) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-3-methyl-N-piperidin-1-ylbutan-1-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-piperidin-1-ylbutan-1-imine
PubChem CID24948880
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-3-methyl-N-piperidin-1-ylbutan-1-imine
SMILESCC(C)C/C=N/N1CCCCC1
InChIInChI=1S/C10H20N2/c1-10(2)6-7-11-12-8-4-3-5-9-12/h7,10H,3-6,8-9H2,1-2H3/b11-7+
InChIKeyKIRURKKVGBJLSV-YRNVUSSQSA-N
XLogP2.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-piperidin-1-ylbutan-1-imine?
The IUPAC name of (E)-3-methyl-N-piperidin-1-ylbutan-1-imine (CID 24948880) is (E)-3-methyl-N-piperidin-1-ylbutan-1-imine.
What is the SMILES notation for (E)-3-methyl-N-piperidin-1-ylbutan-1-imine?
The canonical SMILES for (E)-3-methyl-N-piperidin-1-ylbutan-1-imine is CC(C)C/C=N/N1CCCCC1.
What is the InChIKey of (E)-3-methyl-N-piperidin-1-ylbutan-1-imine?
The InChIKey is KIRURKKVGBJLSV-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2)6-7-11-12-8-4-3-5-9-12/h7,10H,3-6,8-9H2,1-2H3/b11-7+.
What are the key properties of (E)-3-methyl-N-piperidin-1-ylbutan-1-imine?
(E)-3-methyl-N-piperidin-1-ylbutan-1-imine has a molecular weight of 168.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-piperidin-1-ylbutan-1-imine is sourced from PubChem (CID 24948880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).