(Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine

C8H15ClN2O — CID 155016766

IUPAC(Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine
SMILESC[C@@H]1CN(/C(N)=C\Cl)C[C@H](C)O1
InChIInChI=1S/C8H15ClN2O/c1-6-4-11(8(10)3-9)5-7(2)12-6/h3,6-7H,4-5,10H2,1-2H3/b8-3-/t6-,7+
InChIKeyRGHZYHBPXRUTMR-VTZXEOESSA-N
MW190.67 g/mol
LogP1.09
Rot. Bonds1

About (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine

(Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine (PubChem CID 155016766) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine.

Molecular Properties

Compound Name(Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine
PubChem CID155016766
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name(Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine
SMILESC[C@@H]1CN(/C(N)=C\Cl)C[C@H](C)O1
InChIInChI=1S/C8H15ClN2O/c1-6-4-11(8(10)3-9)5-7(2)12-6/h3,6-7H,4-5,10H2,1-2H3/b8-3-/t6-,7+
InChIKeyRGHZYHBPXRUTMR-VTZXEOESSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine?
The IUPAC name of (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine (CID 155016766) is (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine.
What is the SMILES notation for (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine?
The canonical SMILES for (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine is C[C@@H]1CN(/C(N)=C\Cl)C[C@H](C)O1.
What is the InChIKey of (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine?
The InChIKey is RGHZYHBPXRUTMR-VTZXEOESSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-6-4-11(8(10)3-9)5-7(2)12-6/h3,6-7H,4-5,10H2,1-2H3/b8-3-/t6-,7+.
What are the key properties of (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine?
(Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine has a molecular weight of 190.67 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethenamine is sourced from PubChem (CID 155016766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).