N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C16H32N2O2 — CID 103181573

IUPACN-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCOCCCOC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H32N2O2/c1-3-7-18(8-11-20-10-4-9-19-2)16-12-14-5-6-15(13-16)17-14/h14-17H,3-13H2,1-2H3
InChIKeyIKCZNDVGUMLLRT-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.03
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 103181573) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID103181573
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCOCCCOC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H32N2O2/c1-3-7-18(8-11-20-10-4-9-19-2)16-12-14-5-6-15(13-16)17-14/h14-17H,3-13H2,1-2H3
InChIKeyIKCZNDVGUMLLRT-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103411042
N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113437024
N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 104648573
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54957813
N-[2-(2-methoxyethoxy)ethyl]-N-propylazetidin-3-amine
CID 66215881
N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107007984
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
CID 103411100
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63288003
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 103181573) is N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CCOCCCOC)C1CC2CCC(C1)N2.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IKCZNDVGUMLLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-7-18(8-11-20-10-4-9-19-2)16-12-14-5-6-15(13-16)17-14/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 284.44 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 103181573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).