3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride

C14H27Cl2N3O2 — CID 119637717

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
SMILESCCN1CCOC(C(=O)N2CCC3CCC(C2)N3)C1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-2-16-7-8-19-13(10-16)14(18)17-6-5-11-3-4-12(9-17)15-11;;/h11-13,15H,2-10H2,1H3;2*1H
InChIKeyPWEATCVCKYZDJM-UHFFFAOYSA-N
MW340.30 g/mol
LogP0.90
Rot. Bonds2

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride

3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride (PubChem CID 119637717) has the molecular formula C14H27Cl2N3O2 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
PubChem CID119637717
Molecular FormulaC14H27Cl2N3O2
Molecular Weight340.30 g/mol
Exact Mass339.15
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
SMILESCCN1CCOC(C(=O)N2CCC3CCC(C2)N3)C1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-2-16-7-8-19-13(10-16)14(18)17-6-5-11-3-4-12(9-17)15-11;;/h11-13,15H,2-10H2,1H3;2*1H
InChIKeyPWEATCVCKYZDJM-UHFFFAOYSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
CID 119595248
4-ethylmorpholine-2-carboxylate
CID 127053688
cycloheptyl-(4-ethylmorpholin-2-yl)methanone
CID 82931691
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 129414733
6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635975
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone
CID 126768350
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 115313979
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115314043
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124779692

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride (CID 119637717) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride is CCN1CCOC(C(=O)N2CCC3CCC(C2)N3)C1.Cl.Cl.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
The InChIKey is PWEATCVCKYZDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.2ClH/c1-2-16-7-8-19-13(10-16)14(18)17-6-5-11-3-4-12(9-17)15-11;;/h11-13,15H,2-10H2,1H3;2*1H.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride?
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride has a molecular weight of 340.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-ethylmorpholin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119637717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).