5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine

C12H20N2O — CID 70974399

IUPAC5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1CN(C2C=CC=C(N)C2)CC(C)O1
InChIInChI=1S/C12H20N2O/c1-9-7-14(8-10(2)15-9)12-5-3-4-11(13)6-12/h3-5,9-10,12H,6-8,13H2,1-2H3
InChIKeyOMLVPTLFLXZDCQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.27
Rot. Bonds1

About 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine

5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 70974399) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine
PubChem CID70974399
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1CN(C2C=CC=C(N)C2)CC(C)O1
InChIInChI=1S/C12H20N2O/c1-9-7-14(8-10(2)15-9)12-5-3-4-11(13)6-12/h3-5,9-10,12H,6-8,13H2,1-2H3
InChIKeyOMLVPTLFLXZDCQ-UHFFFAOYSA-N
XLogP1.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine (CID 70974399) is 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine is CC1CN(C2C=CC=C(N)C2)CC(C)O1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is OMLVPTLFLXZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-7-14(8-10(2)15-9)12-5-3-4-11(13)6-12/h3-5,9-10,12H,6-8,13H2,1-2H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine?
5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70974399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).