(E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine

C14H25ClN2O — CID 134433938

IUPAC(E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine
SMILESCCN/C(=C/[C@H]1CN(C)C(C)/C(=C(\C)Cl)O1)CC
InChIInChI=1S/C14H25ClN2O/c1-6-12(16-7-2)8-13-9-17(5)11(4)14(18-13)10(3)15/h8,11,13,16H,6-7,9H2,1-5H3/b12-8+,14-10-/t11?,13-/m0/s1
InChIKeyPJIMBGXZOXPAGZ-SIQRKQGZSA-N
MW272.82 g/mol
LogP3.08
Rot. Bonds4

About (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine

(E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine (PubChem CID 134433938) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine
PubChem CID134433938
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC Name(E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine
SMILESCCN/C(=C/[C@H]1CN(C)C(C)/C(=C(\C)Cl)O1)CC
InChIInChI=1S/C14H25ClN2O/c1-6-12(16-7-2)8-13-9-17(5)11(4)14(18-13)10(3)15/h8,11,13,16H,6-7,9H2,1-5H3/b12-8+,14-10-/t11?,13-/m0/s1
InChIKeyPJIMBGXZOXPAGZ-SIQRKQGZSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine?
The IUPAC name of (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine (CID 134433938) is (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine.
What is the SMILES notation for (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine?
The canonical SMILES for (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine is CCN/C(=C/[C@H]1CN(C)C(C)/C(=C(\C)Cl)O1)CC.
What is the InChIKey of (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine?
The InChIKey is PJIMBGXZOXPAGZ-SIQRKQGZSA-N. The full InChI is InChI=1S/C14H25ClN2O/c1-6-12(16-7-2)8-13-9-17(5)11(4)14(18-13)10(3)15/h8,11,13,16H,6-7,9H2,1-5H3/b12-8+,14-10-/t11?,13-/m0/s1.
What are the key properties of (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine?
(E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine has a molecular weight of 272.82 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S,6Z)-6-(1-chloroethylidene)-4,5-dimethylmorpholin-2-yl]-N-ethylbut-1-en-2-amine is sourced from PubChem (CID 134433938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).