4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine

C14H24N2O — CID 70892516

IUPAC4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N2CC(C)OC(C)C2)CC(C)C(N)=C1
InChIInChI=1S/C14H24N2O/c1-9-6-14(10(2)5-13(9)15)16-7-11(3)17-12(4)8-16/h5,9,11-12H,6-8,15H2,1-4H3
InChIKeyLVZLWZRPUAYWPD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.25
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine

4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 70892516) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID70892516
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N2CC(C)OC(C)C2)CC(C)C(N)=C1
InChIInChI=1S/C14H24N2O/c1-9-6-14(10(2)5-13(9)15)16-7-11(3)17-12(4)8-16/h5,9,11-12H,6-8,15H2,1-4H3
InChIKeyLVZLWZRPUAYWPD-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine (CID 70892516) is 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine is CC1=C(N2CC(C)OC(C)C2)CC(C)C(N)=C1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is LVZLWZRPUAYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-6-14(10(2)5-13(9)15)16-7-11(3)17-12(4)8-16/h5,9,11-12H,6-8,15H2,1-4H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70892516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).