N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C10H20N2O — CID 82709444

IUPACN-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCONC1CC2CCC(C1)N2C
InChIInChI=1S/C10H20N2O/c1-3-13-11-8-6-9-4-5-10(7-8)12(9)2/h8-11H,3-7H2,1-2H3
InChIKeyVQTUYRGVBUUVSZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.15
Rot. Bonds3

About N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 82709444) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID82709444
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCONC1CC2CCC(C1)N2C
InChIInChI=1S/C10H20N2O/c1-3-13-11-8-6-9-4-5-10(7-8)12(9)2/h8-11H,3-7H2,1-2H3
InChIKeyVQTUYRGVBUUVSZ-UHFFFAOYSA-N
XLogP1.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(2-methoxyethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740866
8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine
CID 82711461
8-(2-Methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 18919587
8-(2-Ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 18919664
2-(3-Amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol
CID 54107698
8-(2-Methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine
CID 54519220
N-ethoxy-1-methylpiperidin-4-amine
CID 59406421
8-(3-Methoxypropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234270
(1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70193957
(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70194105
azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride
CID 139913522
N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine
CID 142643346

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 82709444) is N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCONC1CC2CCC(C1)N2C.
What is the InChIKey of N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VQTUYRGVBUUVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-13-11-8-6-9-4-5-10(7-8)12(9)2/h8-11H,3-7H2,1-2H3.
What are the key properties of N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 184.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 82709444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).