4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine

C14H24N2O — CID 70892577

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(N2C[C@@H](C)O[C@@H](C)C2)C=C1C
InChIInChI=1S/C14H24N2O/c1-10-7-13(5-6-14(10)15-4)16-8-11(2)17-12(3)9-16/h5,7,11-12,14-15H,6,8-9H2,1-4H3/t11-,12+,14?
InChIKeyCXQOPJIRCPMWMJ-ONXXMXGDSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds2

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 70892577) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID70892577
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(N2C[C@@H](C)O[C@@H](C)C2)C=C1C
InChIInChI=1S/C14H24N2O/c1-10-7-13(5-6-14(10)15-4)16-8-11(2)17-12(3)9-16/h5,7,11-12,14-15H,6,8-9H2,1-4H3/t11-,12+,14?
InChIKeyCXQOPJIRCPMWMJ-ONXXMXGDSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine (CID 70892577) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine is CNC1CC=C(N2C[C@@H](C)O[C@@H](C)C2)C=C1C.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is CXQOPJIRCPMWMJ-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-7-13(5-6-14(10)15-4)16-8-11(2)17-12(3)9-16/h5,7,11-12,14-15H,6,8-9H2,1-4H3/t11-,12+,14?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70892577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).