N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C12H24N2O — CID 43131753

IUPACN-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCCNC1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2O/c1-14-11-4-5-12(14)9-10(8-11)13-6-3-7-15-2/h10-13H,3-9H2,1-2H3
InChIKeyWAGHFDYVIMTTEP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

About N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131753) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131753
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCCNC1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2O/c1-14-11-4-5-12(14)9-10(8-11)13-6-3-7-15-2/h10-13H,3-9H2,1-2H3
InChIKeyWAGHFDYVIMTTEP-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
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-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 3153472
4-Methoxy-1-(pyrrolidin-3-yl)piperidine
CID 62327575
8-(2-methoxyethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740866
3-Butylaminotropane
CID 7175929
3-[N-(2-hydroxyethyl)amino]tropane
CID 29082744
8-Azabicyclo(3.2.1)octan-3-amine, 8-methyl-N-propyl-, exo-
CID 144220
N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61491666
N-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61491698
N-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61491699
8-[3-(2,2,2-Trifluoroethoxy)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61491700
N-methyl-N-[2-(trifluoromethoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 65805677
N-ethyl-N-[2-(trifluoromethoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 65805678

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131753) is N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is COCCCNC1CC2CCC(C1)N2C.
What is the InChIKey of N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WAGHFDYVIMTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14-11-4-5-12(14)9-10(8-11)13-6-3-7-15-2/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).