N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine

C11H22N2O — CID 105364802

IUPACN-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)CONC1CCN2CCC1C2
InChIInChI=1S/C11H22N2O/c1-9(2)8-14-12-11-4-6-13-5-3-10(11)7-13/h9-12H,3-8H2,1-2H3
InChIKeyYWBPHLHPDSQWLE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.26
Rot. Bonds4

About N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine

N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364802) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364802
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)CONC1CCN2CCC1C2
InChIInChI=1S/C11H22N2O/c1-9(2)8-14-12-11-4-6-13-5-3-10(11)7-13/h9-12H,3-8H2,1-2H3
InChIKeyYWBPHLHPDSQWLE-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.26
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

N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364803
8-Methyl-1-azabicyclo[3.2.1]octan-4-amine
CID 19694190
1-(1-ethylpiperidin-3-yl)-N-methoxyethanamine
CID 82706786
N-methoxy-1-(1-methylpiperidin-3-yl)ethanamine
CID 82707082
N-methoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82707469
N-ethoxy-1,2,5-trimethylpiperidin-4-amine
CID 82708932
8-methyl-N-(2-methylpropoxy)-8-azabicyclo[3.2.1]octan-3-amine
CID 82709530
N-ethoxy-1-(1-methylpiperidin-3-yl)ethanamine
CID 82709562
N-ethoxy-1-(1-ethylpiperidin-3-yl)ethanamine
CID 82709752
N-ethoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82710396
1-(1-ethylpiperidin-3-yl)-N-(2-methylpropoxy)ethanamine
CID 82710455
1-(1-methylpiperidin-3-yl)-N-(2-methylpropoxy)ethanamine
CID 82711076

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364802) is N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine is CC(C)CONC1CCN2CCC1C2.
What is the InChIKey of N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is YWBPHLHPDSQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)8-14-12-11-4-6-13-5-3-10(11)7-13/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 198.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).