4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine

C16H26N2O — CID 54603713

IUPAC4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine
SMILESC1=C[C@H]2C[C@@H]1[C@H]1CN(CCCN3CCOCC3)C[C@H]12
InChIInChI=1S/C16H26N2O/c1(4-17-6-8-19-9-7-17)5-18-11-15-13-2-3-14(10-13)16(15)12-18/h2-3,13-16H,1,4-12H2/t13-,14+,15-,16+
InChIKeyOGOKAEYVYPCQOA-GEEKYZPCSA-N
MW262.40 g/mol
LogP1.46
Rot. Bonds4

About 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine

4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine (PubChem CID 54603713) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine
PubChem CID54603713
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine
SMILESC1=C[C@H]2C[C@@H]1[C@H]1CN(CCCN3CCOCC3)C[C@H]12
InChIInChI=1S/C16H26N2O/c1(4-17-6-8-19-9-7-17)5-18-11-15-13-2-3-14(10-13)16(15)12-18/h2-3,13-16H,1,4-12H2/t13-,14+,15-,16+
InChIKeyOGOKAEYVYPCQOA-GEEKYZPCSA-N
XLogP1.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
CID 131882343
(1R,2S,6S,7S)-4-(2-morpholin-4-ylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6559550
[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
CID 167907415
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-(3-bromopropyl)morpholine
CID 13034048
1-(3-morpholin-4-ylpropyl)piperidin-3-ol
CID 111461736
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
butane;4-butylmorpholine
CID 177152600
CID 5478391
CID 5478391
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
5-methyl-1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 79992771
20-morpholin-4-ylicosan-1-ol
CID 58205553

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine?
The IUPAC name of 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine (CID 54603713) is 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine is C1=C[C@H]2C[C@@H]1[C@H]1CN(CCCN3CCOCC3)C[C@H]12.
What is the InChIKey of 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine?
The InChIKey is OGOKAEYVYPCQOA-GEEKYZPCSA-N. The full InChI is InChI=1S/C16H26N2O/c1(4-17-6-8-19-9-7-17)5-18-11-15-13-2-3-14(10-13)16(15)12-18/h2-3,13-16H,1,4-12H2/t13-,14+,15-,16+.
What are the key properties of 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine?
4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine has a molecular weight of 262.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine is sourced from PubChem (CID 54603713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).