(E)-3-chlorohex-3-ene-2,5-diimine;ethane

C8H15ClN2 — CID 176561080

IUPAC(E)-3-chlorohex-3-ene-2,5-diimine;ethane
SMILESCC.[H]/N=C(C)/C=C(Cl)\C(C)=N\[H]
InChIInChI=1S/C6H9ClN2.C2H6/c1-4(8)3-6(7)5(2)9;1-2/h3,8-9H,1-2H3;1-2H3/b6-3+,8-4+,9-5+;
InChIKeyAMHDCEYIKBNDSE-SAHWHPEISA-N
MW174.67 g/mol
LogP3.21
Rot. Bonds2

About (E)-3-chlorohex-3-ene-2,5-diimine;ethane

(E)-3-chlorohex-3-ene-2,5-diimine;ethane (PubChem CID 176561080) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is (E)-3-chlorohex-3-ene-2,5-diimine;ethane.

Molecular Properties

Compound Name(E)-3-chlorohex-3-ene-2,5-diimine;ethane
PubChem CID176561080
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name(E)-3-chlorohex-3-ene-2,5-diimine;ethane
SMILESCC.[H]/N=C(C)/C=C(Cl)\C(C)=N\[H]
InChIInChI=1S/C6H9ClN2.C2H6/c1-4(8)3-6(7)5(2)9;1-2/h3,8-9H,1-2H3;1-2H3/b6-3+,8-4+,9-5+;
InChIKeyAMHDCEYIKBNDSE-SAHWHPEISA-N
XLogP3.21
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Chloro-1,4-benzoquinone diimine
CID 53437151
(Z)-4-iminopent-2-enimidoyl chloride
CID 58485320
4-Iminopent-2-enimidoyl chloride
CID 76800601
(4Z)-2-chlorohepta-1,4-dien-3-imine
CID 90748717
(E)-4-chloropent-3-en-2-imine
CID 91151084
(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine
CID 91186709
(E)-3-chloropent-3-en-2-imine
CID 91487209
[(Z)-5-chloro-5-iminopent-3-en-2-ylidene]azanium
CID 141989637
(E)-3-chloro-4-iminopent-2-enimidoyl chloride
CID 144816644
(E)-3-chlorohex-3-ene-2,5-diimine
CID 176561081

Frequently Asked Questions

What is the IUPAC name of (E)-3-chlorohex-3-ene-2,5-diimine;ethane?
The IUPAC name of (E)-3-chlorohex-3-ene-2,5-diimine;ethane (CID 176561080) is (E)-3-chlorohex-3-ene-2,5-diimine;ethane.
What is the SMILES notation for (E)-3-chlorohex-3-ene-2,5-diimine;ethane?
The canonical SMILES for (E)-3-chlorohex-3-ene-2,5-diimine;ethane is CC.[H]/N=C(C)/C=C(Cl)\C(C)=N\[H].
What is the InChIKey of (E)-3-chlorohex-3-ene-2,5-diimine;ethane?
The InChIKey is AMHDCEYIKBNDSE-SAHWHPEISA-N. The full InChI is InChI=1S/C6H9ClN2.C2H6/c1-4(8)3-6(7)5(2)9;1-2/h3,8-9H,1-2H3;1-2H3/b6-3+,8-4+,9-5+;.
What are the key properties of (E)-3-chlorohex-3-ene-2,5-diimine;ethane?
(E)-3-chlorohex-3-ene-2,5-diimine;ethane has a molecular weight of 174.67 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chlorohex-3-ene-2,5-diimine;ethane is sourced from PubChem (CID 176561080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).