ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine

C13H29N — CID 170570727

IUPACethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine
SMILESCC.CCC1CCCC(C(C)C)N1C
InChIInChI=1S/C11H23N.C2H6/c1-5-10-7-6-8-11(9(2)3)12(10)4;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyDUHJZXGHPJBHBH-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.93
Rot. Bonds2

About ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine

ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine (PubChem CID 170570727) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine
PubChem CID170570727
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine
SMILESCC.CCC1CCCC(C(C)C)N1C
InChIInChI=1S/C11H23N.C2H6/c1-5-10-7-6-8-11(9(2)3)12(10)4;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyDUHJZXGHPJBHBH-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine?
The IUPAC name of ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine (CID 170570727) is ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine.
What is the SMILES notation for ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine?
The canonical SMILES for ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine is CC.CCC1CCCC(C(C)C)N1C.
What is the InChIKey of ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine?
The InChIKey is DUHJZXGHPJBHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-5-10-7-6-8-11(9(2)3)12(10)4;1-2/h9-11H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine?
ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine has a molecular weight of 199.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine is sourced from PubChem (CID 170570727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).