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

C13H26N2O — CID 43131671

IUPACN-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOCCCNC1CC2CCC(C1)N2C
InChIInChI=1S/C13H26N2O/c1-3-16-8-4-7-14-11-9-12-5-6-13(10-11)15(12)2/h11-14H,3-10H2,1-2H3
InChIKeyRLYQDPCDGZQFDB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

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

N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131671) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131671
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOCCCNC1CC2CCC(C1)N2C
InChIInChI=1S/C13H26N2O/c1-3-16-8-4-7-14-11-9-12-5-6-13(10-11)15(12)2/h11-14H,3-10H2,1-2H3
InChIKeyRLYQDPCDGZQFDB-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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-Morpholinopropyl)cycloheptanamine
CID 5143403
8-(2-methoxyethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740866
3-[N-(2-hydroxyethyl)amino]tropane
CID 29082744
N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 54961604
N-ethyl-8-[2-(2,2,2-trifluoroethoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55262043
N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61490706
N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61490707
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-propyl-8-[2-(2,2,2-trifluoroethoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 63826561

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131671) is N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCOCCCNC1CC2CCC(C1)N2C.
What is the InChIKey of N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RLYQDPCDGZQFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-16-8-4-7-14-11-9-12-5-6-13(10-11)15(12)2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).