(2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine

C7H11Cl2N — CID 166863609

IUPAC(2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(\C=C(\Cl)CCl)NC
InChIInChI=1S/C7H11Cl2N/c1-3-7(10-2)4-6(9)5-8/h3-4,10H,5H2,1-2H3/b6-4+,7-3+
InChIKeyJXGLPRWLQBLWRY-DVFLZCIWSA-N
MW180.08 g/mol
LogP2.47
Rot. Bonds3

About (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine

(2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine (PubChem CID 166863609) has the molecular formula C7H11Cl2N and a molecular weight of 180.08 g/mol. Its IUPAC name is (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine
PubChem CID166863609
Molecular FormulaC7H11Cl2N
Molecular Weight180.08 g/mol
Exact Mass179.03
IUPAC Name(2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(\C=C(\Cl)CCl)NC
InChIInChI=1S/C7H11Cl2N/c1-3-7(10-2)4-6(9)5-8/h3-4,10H,5H2,1-2H3/b6-4+,7-3+
InChIKeyJXGLPRWLQBLWRY-DVFLZCIWSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine (CID 166863609) is (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine is C/C=C(\C=C(\Cl)CCl)NC.
What is the InChIKey of (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine?
The InChIKey is JXGLPRWLQBLWRY-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H11Cl2N/c1-3-7(10-2)4-6(9)5-8/h3-4,10H,5H2,1-2H3/b6-4+,7-3+.
What are the key properties of (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine?
(2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine has a molecular weight of 180.08 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,6-dichloro-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 166863609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).