4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine

C17H27NO — CID 123981129

IUPAC4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine
SMILESCC(CC1=CC=CC=CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C17H27NO/c1-14(10-17-8-6-4-5-7-9-17)11-18-12-15(2)19-16(3)13-18/h4-8,14-16H,9-13H2,1-3H3
InChIKeyGTVDKLKFNBWUDP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds4

About 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine

4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine (PubChem CID 123981129) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine
PubChem CID123981129
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine
SMILESCC(CC1=CC=CC=CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C17H27NO/c1-14(10-17-8-6-4-5-7-9-17)11-18-12-15(2)19-16(3)13-18/h4-8,14-16H,9-13H2,1-3H3
InChIKeyGTVDKLKFNBWUDP-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine (CID 123981129) is 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine is CC(CC1=CC=CC=CC1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
The InChIKey is GTVDKLKFNBWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(10-17-8-6-4-5-7-9-17)11-18-12-15(2)19-16(3)13-18/h4-8,14-16H,9-13H2,1-3H3.
What are the key properties of 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine has a molecular weight of 261.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 123981129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).