ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane

C17H37N3 — CID 143122982

IUPACethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.CN1CCC(N2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C13H25N3.2C2H6/c1-14-7-5-11(6-8-14)16-9-12-3-4-13(10-16)15(12)2;2*1-2/h11-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyMYFIXEDZKATBDM-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.91
Rot. Bonds1

About ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane

ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 143122982) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID143122982
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Nameethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.CN1CCC(N2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C13H25N3.2C2H6/c1-14-7-5-11(6-8-14)16-9-12-3-4-13(10-16)15(12)2;2*1-2/h11-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyMYFIXEDZKATBDM-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-Propan-2-ylpiperazin-1-yl)propyl]-1,4-diazabicyclo[3.2.1]octane
CID 122154253
3,8-Dimethyl-3,8-diazabicyclo[3.2.1]octane
CID 23383278
8-Methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 18731882
8-Ethyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 20676178
3-Butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 53406736
3,8-Di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 57565320
(1S,5R)-3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
CID 57608622
3-Butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 57709497
N-[2-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl]-N,2-dimethylpropan-2-amine
CID 58317801
N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine
CID 58317819
(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 58348946
2,6-Dimethyl-2,6-diazabicyclo[3.2.1]octane
CID 59397830

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane (CID 143122982) is ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane is CC.CC.CN1CCC(N2CC3CCC(C2)N3C)CC1.
What is the InChIKey of ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is MYFIXEDZKATBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.2C2H6/c1-14-7-5-11(6-8-14)16-9-12-3-4-13(10-16)15(12)2;2*1-2/h11-13H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane?
ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 283.50 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 143122982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).