4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine

C17H29NO — CID 141103685

IUPAC4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine
SMILESCC(CN1CCOCC1)C1CC=CC2CCCCC21
InChIInChI=1S/C17H29NO/c1-14(13-18-9-11-19-12-10-18)16-8-4-6-15-5-2-3-7-17(15)16/h4,6,14-17H,2-3,5,7-13H2,1H3
InChIKeyRFMKUKLAATXGDZ-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.34
Rot. Bonds3

About 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine

4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine (PubChem CID 141103685) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine
PubChem CID141103685
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine
SMILESCC(CN1CCOCC1)C1CC=CC2CCCCC21
InChIInChI=1S/C17H29NO/c1-14(13-18-9-11-19-12-10-18)16-8-4-6-15-5-2-3-7-17(15)16/h4,6,14-17H,2-3,5,7-13H2,1H3
InChIKeyRFMKUKLAATXGDZ-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine
CID 10977479
4-(2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-3-yl)ethyl)morpholine
CID 386469
4-(4-Hexylcyclohex-1-EN-1-YL)morpholine
CID 13479957
4-[3-(4-Methylcyclohex-3-en-1-yl)butyl]morpholine
CID 20223282
4-Cyclohexyl 1-morpholyl cyclohex-1 ene
CID 21515286
4-[1-(6-Ethoxyhex-2-enyl)-2-methylcyclohexyl]morpholine
CID 57174545
4-[1-(7-Ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine
CID 57265762
4-[(4-Tert-butylcyclohex-3-en-1-yl)methyl]morpholine
CID 70309234
4-[3-[(1S,6R)-6-tert-butylcyclohex-2-en-1-yl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 70501280
4-[3-(6-Tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
CID 70501489
(2S,6R)-4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
CID 70501511
4-(2-Cyclohex-2-en-1-ylethyl)morpholine
CID 91304165

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine?
The IUPAC name of 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine (CID 141103685) is 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine?
The canonical SMILES for 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine is CC(CN1CCOCC1)C1CC=CC2CCCCC21.
What is the InChIKey of 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine?
The InChIKey is RFMKUKLAATXGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(13-18-9-11-19-12-10-18)16-8-4-6-15-5-2-3-7-17(15)16/h4,6,14-17H,2-3,5,7-13H2,1H3.
What are the key properties of 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine?
4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine has a molecular weight of 263.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propyl]morpholine is sourced from PubChem (CID 141103685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).