N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H28N2O — CID 104648573

IUPACN-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CCCCOC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2O/c1-3-16(8-4-5-9-17-2)14-10-12-6-7-13(11-14)15-12/h12-15H,3-11H2,1-2H3
InChIKeyZATPPRTZUXCWOE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds7

About N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 104648573) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID104648573
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CCCCOC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2O/c1-3-16(8-4-5-9-17-2)14-10-12-6-7-13(11-14)15-12/h12-15H,3-11H2,1-2H3
InChIKeyZATPPRTZUXCWOE-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113437024
N-[3-(2-methoxyethoxy)propyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103411042
N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103181573
N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 112590844
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol
CID 63928215
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114191604
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63288003
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
N-ethyl-N-(2-methoxyethyl)bicyclo[3.1.0]hexan-3-amine
CID 144866247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 104648573) is N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(CCCCOC)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZATPPRTZUXCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-16(8-4-5-9-17-2)14-10-12-6-7-13(11-14)15-12/h12-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 104648573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).