2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine

C14H27N3O — CID 113448316

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine
SMILESCN1C2CCC1CN(CC(N)C1CCOC1)CC2
InChIInChI=1S/C14H27N3O/c1-16-12-2-3-13(16)8-17(6-4-12)9-14(15)11-5-7-18-10-11/h11-14H,2-10,15H2,1H3
InChIKeyGQSQPGUIXZXVOR-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.52
Rot. Bonds3

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 113448316) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID113448316
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine
SMILESCN1C2CCC1CN(CC(N)C1CCOC1)CC2
InChIInChI=1S/C14H27N3O/c1-16-12-2-3-13(16)8-17(6-4-12)9-14(15)11-5-7-18-10-11/h11-14H,2-10,15H2,1H3
InChIKeyGQSQPGUIXZXVOR-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine (CID 113448316) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine is CN1C2CCC1CN(CC(N)C1CCOC1)CC2.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is GQSQPGUIXZXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-12-2-3-13(16)8-17(6-4-12)9-14(15)11-5-7-18-10-11/h11-14H,2-10,15H2,1H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113448316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).