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

C15H30N2O — CID 113437024

IUPACN-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCCCOC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H30N2O/c1-3-8-17(9-4-5-10-18-2)15-11-13-6-7-14(12-15)16-13/h13-16H,3-12H2,1-2H3
InChIKeyIZJUOYIXDRHGHY-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds8

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

N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 113437024) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID113437024
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCCCOC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H30N2O/c1-3-8-17(9-4-5-10-18-2)15-11-13-6-7-14(12-15)16-13/h13-16H,3-12H2,1-2H3
InChIKeyIZJUOYIXDRHGHY-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
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-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 104648573
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-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630
N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107007984
N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54957813
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol
CID 63928215
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
CID 103411100
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 113437024) is N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CCCCOC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IZJUOYIXDRHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-17(9-4-5-10-18-2)15-11-13-6-7-14(12-15)16-13/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 113437024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).