ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine

C13H29N — CID 170771702

IUPACethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine
SMILESCC.CCC1CCC(C(C)C)N(C)C1
InChIInChI=1S/C11H23N.C2H6/c1-5-10-6-7-11(9(2)3)12(4)8-10;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyXKXGXFPPDKYNKR-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds2

About ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine

ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine (PubChem CID 170771702) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine
PubChem CID170771702
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine
SMILESCC.CCC1CCC(C(C)C)N(C)C1
InChIInChI=1S/C11H23N.C2H6/c1-5-10-6-7-11(9(2)3)12(4)8-10;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyXKXGXFPPDKYNKR-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-diethyl-2-propan-2-ylpiperidine
CID 59860323
(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 167547776
1-methyl-2-propan-2-ylazetidine
CID 23588958
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
ethane;ethylcyclopropane
CID 91380076
1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid
CID 83915215
2-(5-ethyl-1-methylpiperidin-2-yl)ethanol
CID 130123584
ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine
CID 170570727
ethane;3-ethyl-1-methylpiperidine
CID 142833851
[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
CID 96735568
1-methyl-5-propan-2-ylpyrrolidin-3-amine
CID 83855177
(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 146933740

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine?
The IUPAC name of ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine (CID 170771702) is ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine.
What is the SMILES notation for ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine?
The canonical SMILES for ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine is CC.CCC1CCC(C(C)C)N(C)C1.
What is the InChIKey of ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine?
The InChIKey is XKXGXFPPDKYNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-5-10-6-7-11(9(2)3)12(4)8-10;1-2/h9-11H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine?
ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-methyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 170771702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).