(3E)-3-(2-ethyl-2-methylbutylidene)piperidine

C12H23N — CID 146324404

IUPAC(3E)-3-(2-ethyl-2-methylbutylidene)piperidine
SMILESCCC(C)(/C=C1\CCCNC1)CC
InChIInChI=1S/C12H23N/c1-4-12(3,5-2)9-11-7-6-8-13-10-11/h9,13H,4-8,10H2,1-3H3/b11-9+
InChIKeyRLLWWGIFAQTBPH-PKNBQFBNSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds3

About (3E)-3-(2-ethyl-2-methylbutylidene)piperidine

(3E)-3-(2-ethyl-2-methylbutylidene)piperidine (PubChem CID 146324404) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3E)-3-(2-ethyl-2-methylbutylidene)piperidine.

Molecular Properties

Compound Name(3E)-3-(2-ethyl-2-methylbutylidene)piperidine
PubChem CID146324404
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3E)-3-(2-ethyl-2-methylbutylidene)piperidine
SMILESCCC(C)(/C=C1\CCCNC1)CC
InChIInChI=1S/C12H23N/c1-4-12(3,5-2)9-11-7-6-8-13-10-11/h9,13H,4-8,10H2,1-3H3/b11-9+
InChIKeyRLLWWGIFAQTBPH-PKNBQFBNSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-ethyl-2-methylbutylidene)piperidine?
The IUPAC name of (3E)-3-(2-ethyl-2-methylbutylidene)piperidine (CID 146324404) is (3E)-3-(2-ethyl-2-methylbutylidene)piperidine.
What is the SMILES notation for (3E)-3-(2-ethyl-2-methylbutylidene)piperidine?
The canonical SMILES for (3E)-3-(2-ethyl-2-methylbutylidene)piperidine is CCC(C)(/C=C1\CCCNC1)CC.
What is the InChIKey of (3E)-3-(2-ethyl-2-methylbutylidene)piperidine?
The InChIKey is RLLWWGIFAQTBPH-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H23N/c1-4-12(3,5-2)9-11-7-6-8-13-10-11/h9,13H,4-8,10H2,1-3H3/b11-9+.
What are the key properties of (3E)-3-(2-ethyl-2-methylbutylidene)piperidine?
(3E)-3-(2-ethyl-2-methylbutylidene)piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-ethyl-2-methylbutylidene)piperidine is sourced from PubChem (CID 146324404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).