2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine

C13H25N3O — CID 115314333

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
SMILESCN1CCOC(CN2CCC3CCC(C2)N3)C1
InChIInChI=1S/C13H25N3O/c1-15-6-7-17-13(9-15)10-16-5-4-11-2-3-12(8-16)14-11/h11-14H,2-10H2,1H3
InChIKeyBIJLFVFGWJFYAF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.14
Rot. Bonds2

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine

2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine (PubChem CID 115314333) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
PubChem CID115314333
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
SMILESCN1CCOC(CN2CCC3CCC(C2)N3)C1
InChIInChI=1S/C13H25N3O/c1-15-6-7-17-13(9-15)10-16-5-4-11-2-3-12(8-16)14-11/h11-14H,2-10H2,1H3
InChIKeyBIJLFVFGWJFYAF-UHFFFAOYSA-N
XLogP0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-4-yl]ethanamine
CID 79172349
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-3-yl]ethanol
CID 112734129
4-methyl-2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076926
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076925
3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490697
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
[(2R)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 112734122

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine (CID 115314333) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine is CN1CCOC(CN2CCC3CCC(C2)N3)C1.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine?
The InChIKey is BIJLFVFGWJFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15-6-7-17-13(9-15)10-16-5-4-11-2-3-12(8-16)14-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine?
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine has a molecular weight of 239.36 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine is sourced from PubChem (CID 115314333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).