N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H32N2O — CID 65472937

IUPACN-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC1(C)CC(NC2CC3CCCC(C2)N3C)CCO1
InChIInChI=1S/C17H32N2O/c1-4-17(2)12-13(8-9-20-17)18-14-10-15-6-5-7-16(11-14)19(15)3/h13-16,18H,4-12H2,1-3H3
InChIKeyLQPFZBKGKZAPRG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds3

About N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472937) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472937
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC1(C)CC(NC2CC3CCCC(C2)N3C)CCO1
InChIInChI=1S/C17H32N2O/c1-4-17(2)12-13(8-9-20-17)18-14-10-15-6-5-7-16(11-14)19(15)3/h13-16,18H,4-12H2,1-3H3
InChIKeyLQPFZBKGKZAPRG-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472937) is N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCC1(C)CC(NC2CC3CCCC(C2)N3C)CCO1.
What is the InChIKey of N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is LQPFZBKGKZAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-17(2)12-13(8-9-20-17)18-14-10-15-6-5-7-16(11-14)19(15)3/h13-16,18H,4-12H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 280.46 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).