(2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine

C14H21NO — CID 142805226

IUPAC(2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine
SMILESCC1=CC=C(N2C[C@@H](C)O[C@@H](C)C2)C=CC1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-14(8-7-11)15-9-12(2)16-13(3)10-15/h4,6-8,12-13H,5,9-10H2,1-3H3/t12-,13+
InChIKeyZHRMMBMZYOIABW-BETUJISGSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine

(2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine (PubChem CID 142805226) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine
PubChem CID142805226
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine
SMILESCC1=CC=C(N2C[C@@H](C)O[C@@H](C)C2)C=CC1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-14(8-7-11)15-9-12(2)16-13(3)10-15/h4,6-8,12-13H,5,9-10H2,1-3H3/t12-,13+
InChIKeyZHRMMBMZYOIABW-BETUJISGSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine (CID 142805226) is (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine is CC1=CC=C(N2C[C@@H](C)O[C@@H](C)C2)C=CC1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine?
The InChIKey is ZHRMMBMZYOIABW-BETUJISGSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-14(8-7-11)15-9-12(2)16-13(3)10-15/h4,6-8,12-13H,5,9-10H2,1-3H3/t12-,13+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(4-methylcyclohepta-1,3,6-trien-1-yl)morpholine is sourced from PubChem (CID 142805226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).