(1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine

C8H14ClN3O — CID 143112011

IUPAC(1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine
SMILESN/C(Cl)=C\C=C(/N)N1CCOCC1
InChIInChI=1S/C8H14ClN3O/c9-7(10)1-2-8(11)12-3-5-13-6-4-12/h1-2H,3-6,10-11H2/b7-1-,8-2+
InChIKeyWEWXXLWXQXTZMS-JOTJMYPPSA-N
MW203.67 g/mol
LogP0.16
Rot. Bonds2

About (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine

(1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine (PubChem CID 143112011) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine
PubChem CID143112011
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name(1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine
SMILESN/C(Cl)=C\C=C(/N)N1CCOCC1
InChIInChI=1S/C8H14ClN3O/c9-7(10)1-2-8(11)12-3-5-13-6-4-12/h1-2H,3-6,10-11H2/b7-1-,8-2+
InChIKeyWEWXXLWXQXTZMS-JOTJMYPPSA-N
XLogP0.16
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3E)-1-chloro-2-methyl-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine
CID 143881894
morpholine-4-carbonyl chloride;morpholine-4-carboxamide
CID 160802379
4-[chloro(cyclopropylidene)methyl]morpholine
CID 70266471
CID 177489628
CID 177489628
(Z)-3-morpholin-4-ylbut-2-enamide
CID 70579814
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 134406789
(2E)-3-amino-5-methyl-1-morpholin-4-ylhexa-2,4-diene-1-thione
CID 45118722
1,3-oxazolidine-3-carbothioamide
CID 57154446
N-hydroxy-2-morpholin-4-yl-2-oxoethanimidoyl chloride
CID 75088881

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine (CID 143112011) is (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine is N/C(Cl)=C\C=C(/N)N1CCOCC1.
What is the InChIKey of (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine?
The InChIKey is WEWXXLWXQXTZMS-JOTJMYPPSA-N. The full InChI is InChI=1S/C8H14ClN3O/c9-7(10)1-2-8(11)12-3-5-13-6-4-12/h1-2H,3-6,10-11H2/b7-1-,8-2+.
What are the key properties of (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine?
(1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine has a molecular weight of 203.67 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-chloro-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 143112011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).