(2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine

C12H21N — CID 138726585

IUPAC(2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine
SMILESC/C=C1\C[C@@H](C)CN(CC)\C1=C\C
InChIInChI=1S/C12H21N/c1-5-11-8-10(4)9-13(7-3)12(11)6-2/h5-6,10H,7-9H2,1-4H3/b11-5+,12-6+/t10-/m1/s1
InChIKeyOBNTVNCZVQZMMF-DVYUKCRISA-N
MW179.31 g/mol
LogP3.20
Rot. Bonds1

About (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine

(2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine (PubChem CID 138726585) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine.

Molecular Properties

Compound Name(2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine
PubChem CID138726585
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine
SMILESC/C=C1\C[C@@H](C)CN(CC)\C1=C\C
InChIInChI=1S/C12H21N/c1-5-11-8-10(4)9-13(7-3)12(11)6-2/h5-6,10H,7-9H2,1-4H3/b11-5+,12-6+/t10-/m1/s1
InChIKeyOBNTVNCZVQZMMF-DVYUKCRISA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine?
The IUPAC name of (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine (CID 138726585) is (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine.
What is the SMILES notation for (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine?
The canonical SMILES for (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine is C/C=C1\C[C@@H](C)CN(CC)\C1=C\C.
What is the InChIKey of (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine?
The InChIKey is OBNTVNCZVQZMMF-DVYUKCRISA-N. The full InChI is InChI=1S/C12H21N/c1-5-11-8-10(4)9-13(7-3)12(11)6-2/h5-6,10H,7-9H2,1-4H3/b11-5+,12-6+/t10-/m1/s1.
What are the key properties of (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine?
(2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine has a molecular weight of 179.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine is sourced from PubChem (CID 138726585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).