(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine

C9H13Cl2N — CID 91186709

IUPAC(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine
SMILES[H]/N=C(C(Cl)=C(C)CC)\C(Cl)=C/C
InChIInChI=1S/C9H13Cl2N/c1-4-6(3)8(11)9(12)7(10)5-2/h5,12H,4H2,1-3H3/b7-5+,8-6?,12-9+
InChIKeyWHYLJZUFXXHAMR-UTORKRMWSA-N
MW206.12 g/mol
LogP4.07
Rot. Bonds3

About (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine

(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine (PubChem CID 91186709) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine.

Molecular Properties

Compound Name(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine
PubChem CID91186709
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine
SMILES[H]/N=C(C(Cl)=C(C)CC)\C(Cl)=C/C
InChIInChI=1S/C9H13Cl2N/c1-4-6(3)8(11)9(12)7(10)5-2/h5,12H,4H2,1-3H3/b7-5+,8-6?,12-9+
InChIKeyWHYLJZUFXXHAMR-UTORKRMWSA-N
XLogP4.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-chloro-5-fluoro-6-methylhepta-3,5-dien-2-imine
CID 138668339
(E)-3-chloropent-3-en-2-imine
CID 91487209
(E)-3-chlorohex-3-ene-2,5-diimine;ethane
CID 176561080
3-Chloro-4-methylpent-3-en-2-imine
CID 148839636

Frequently Asked Questions

What is the IUPAC name of (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine?
The IUPAC name of (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine (CID 91186709) is (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine.
What is the SMILES notation for (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine?
The canonical SMILES for (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine is [H]/N=C(C(Cl)=C(C)CC)\C(Cl)=C/C.
What is the InChIKey of (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine?
The InChIKey is WHYLJZUFXXHAMR-UTORKRMWSA-N. The full InChI is InChI=1S/C9H13Cl2N/c1-4-6(3)8(11)9(12)7(10)5-2/h5,12H,4H2,1-3H3/b7-5+,8-6?,12-9+.
What are the key properties of (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine?
(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine has a molecular weight of 206.12 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine is sourced from PubChem (CID 91186709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).