3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane

C47H104N4 — CID 157446269

IUPAC3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane
SMILESCCC.CCC.CCC.CCC.CCC1CC2CCC(C1)N2C.CCC1CCCN(C)C1.CCC1CCN(C)CC1.CCCC1CCN(C)CC1
InChIInChI=1S/C10H19N.C9H19N.2C8H17N.4C3H8/c1-3-8-6-9-4-5-10(7-8)11(9)2;1-3-4-9-5-7-10(2)8-6-9;1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;4*1-3-2/h8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*3H2,1-2H3
InChIKeyBSGLCLHEYYMCNN-UHFFFAOYSA-N
MW725.38 g/mol
LogP13.54
Rot. Bonds5

About 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane

3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane (PubChem CID 157446269) has the molecular formula C47H104N4 and a molecular weight of 725.38 g/mol. Its IUPAC name is 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane.

Molecular Properties

Compound Name3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane
PubChem CID157446269
Molecular FormulaC47H104N4
Molecular Weight725.38 g/mol
Exact Mass724.83
IUPAC Name3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane
SMILESCCC.CCC.CCC.CCC.CCC1CC2CCC(C1)N2C.CCC1CCCN(C)C1.CCC1CCN(C)CC1.CCCC1CCN(C)CC1
InChIInChI=1S/C10H19N.C9H19N.2C8H17N.4C3H8/c1-3-8-6-9-4-5-10(7-8)11(9)2;1-3-4-9-5-7-10(2)8-6-9;1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;4*1-3-2/h8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*3H2,1-2H3
InChIKeyBSGLCLHEYYMCNN-UHFFFAOYSA-N
XLogP13.54
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.38
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680686
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680691
N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680708
3-[2-(3-Azabicyclo[3.1.1]heptan-3-yl)-2-methylpropyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 131989865
9-Propan-2-yl-3-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-9-azabicyclo[3.3.1]nonane
CID 134444573
1-Methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine
CID 135175353
3-(3-Azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 138545681
4-[2-(1,3-Dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine
CID 138751927
9-Methyl-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-9-azabicyclo[3.3.1]nonane
CID 139482479
2-(3,8-Dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
CID 139483144
8-Propan-2-yl-1-[[1-propan-2-yl-6-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]piperidin-2-yl]methyl]-8-azabicyclo[3.2.1]octane
CID 139538951
(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine
CID 146332077

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane?
The IUPAC name of 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane (CID 157446269) is 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane.
What is the SMILES notation for 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane?
The canonical SMILES for 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane is CCC.CCC.CCC.CCC.CCC1CC2CCC(C1)N2C.CCC1CCCN(C)C1.CCC1CCN(C)CC1.CCCC1CCN(C)CC1.
What is the InChIKey of 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane?
The InChIKey is BSGLCLHEYYMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C9H19N.2C8H17N.4C3H8/c1-3-8-6-9-4-5-10(7-8)11(9)2;1-3-4-9-5-7-10(2)8-6-9;1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;4*1-3-2/h8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*3H2,1-2H3.
What are the key properties of 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane?
3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane has a molecular weight of 725.38 g/mol, XLogP of 13.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine;1-methyl-4-propylpiperidine;propane is sourced from PubChem (CID 157446269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).