N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H23N3O — CID 106421181

IUPACN-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1ccno1
InChIInChI=1S/C14H23N3O/c1-2-15-11-8-12-4-3-5-13(9-11)17(12)10-14-6-7-16-18-14/h6-7,11-13,15H,2-5,8-10H2,1H3
InChIKeyALNYLYWCMGHYNA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.17
Rot. Bonds4

About N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106421181) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106421181
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1ccno1
InChIInChI=1S/C14H23N3O/c1-2-15-11-8-12-4-3-5-13(9-11)17(12)10-14-6-7-16-18-14/h6-7,11-13,15H,2-5,8-10H2,1H3
InChIKeyALNYLYWCMGHYNA-UHFFFAOYSA-N
XLogP2.17
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

5-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 97219415
N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
N-(1,2-oxazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106415508
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
CID 106415669
N-(5-isoxazolylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine dihydrochloride
CID 56702505
N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 60683233
3-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-oxohexanamide
CID 89888341
5-(Piperidin-1-ylmethyl)-1,2-oxazole
CID 130734278
1-[(1,2-Oxazol-5-yl)methyl]piperazine
CID 28781796
1-(1,2-Oxazol-5-ylmethyl)piperidin-4-amine
CID 43556584
N-methyl-N-(1,2-oxazol-5-ylmethyl)piperidin-4-amine
CID 43607721
5-[(3-Pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 54885669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 106421181) is N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2Cc1ccno1.
What is the InChIKey of N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ALNYLYWCMGHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-11-8-12-4-3-5-13(9-11)17(12)10-14-6-7-16-18-14/h6-7,11-13,15H,2-5,8-10H2,1H3.
What are the key properties of N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 249.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106421181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).