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

C17H34N2O — CID 62740388

IUPAC8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CCOCCC(C)C
InChIInChI=1S/C17H34N2O/c1-4-8-18-15-12-16-5-6-17(13-15)19(16)9-11-20-10-7-14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyIEOQQQSCJYYPPT-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.04
Rot. Bonds9

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

8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740388) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740388
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CCOCCC(C)C
InChIInChI=1S/C17H34N2O/c1-4-8-18-15-12-16-5-6-17(13-15)19(16)9-11-20-10-7-14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyIEOQQQSCJYYPPT-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.04
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

3-chloro-8-[2-(3-methylbutoxy)ethyl]-8-azabicyclo[3.2.1]octane
CID 55237403
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738979
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 79123103
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
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-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740388) is 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2CCOCCC(C)C.
What is the InChIKey of 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IEOQQQSCJYYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-8-18-15-12-16-5-6-17(13-15)19(16)9-11-20-10-7-14(2)3/h14-18H,4-13H2,1-3H3.
What are the key properties of 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 282.47 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).