(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine

C10H18N2 — CID 170078168

IUPAC(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine
SMILESCC/C(C)=C1\CNCC\C1=N/C
InChIInChI=1S/C10H18N2/c1-4-8(2)9-7-12-6-5-10(9)11-3/h12H,4-7H2,1-3H3/b9-8+,11-10+
InChIKeySEDZAWNQELYLSZ-BNFZFUHLSA-N
MW166.27 g/mol
LogP1.78
Rot. Bonds1

About (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine

(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine (PubChem CID 170078168) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine.

Molecular Properties

Compound Name(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine
PubChem CID170078168
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine
SMILESCC/C(C)=C1\CNCC\C1=N/C
InChIInChI=1S/C10H18N2/c1-4-8(2)9-7-12-6-5-10(9)11-3/h12H,4-7H2,1-3H3/b9-8+,11-10+
InChIKeySEDZAWNQELYLSZ-BNFZFUHLSA-N
XLogP1.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine?
The IUPAC name of (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine (CID 170078168) is (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine.
What is the SMILES notation for (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine?
The canonical SMILES for (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine is CC/C(C)=C1\CNCC\C1=N/C.
What is the InChIKey of (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine?
The InChIKey is SEDZAWNQELYLSZ-BNFZFUHLSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-8(2)9-7-12-6-5-10(9)11-3/h12H,4-7H2,1-3H3/b9-8+,11-10+.
What are the key properties of (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine?
(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine has a molecular weight of 166.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine is sourced from PubChem (CID 170078168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).