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

C15H30N2O — CID 62738979

IUPAC8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CCCCOC
InChIInChI=1S/C15H30N2O/c1-3-8-16-13-11-14-6-7-15(12-13)17(14)9-4-5-10-18-2/h13-16H,3-12H2,1-2H3
InChIKeyUQXKTZQXMSFBHX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds8

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

8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738979) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738979
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CCCCOC
InChIInChI=1S/C15H30N2O/c1-3-8-16-13-11-14-6-7-15(12-13)17(14)9-4-5-10-18-2/h13-16H,3-12H2,1-2H3
InChIKeyUQXKTZQXMSFBHX-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740388
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133
1-(3-methoxypropyl)-3-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 3217957
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 64578760
methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 62739694
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide
CID 106338448
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62738979) is 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2CCCCOC.
What is the InChIKey of 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UQXKTZQXMSFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-16-13-11-14-6-7-15(12-13)17(14)9-4-5-10-18-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(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 8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).