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

C7H11Br2N — CID 142852445

IUPAC(2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(NC)\C(Br)=C/CBr
InChIInChI=1S/C7H11Br2N/c1-3-7(10-2)6(9)4-5-8/h3-4,10H,5H2,1-2H3/b6-4+,7-3+
InChIKeyBUBWQRDNKAEYFQ-DVFLZCIWSA-N
MW268.98 g/mol
LogP2.78
Rot. Bonds3

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

(2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine (PubChem CID 142852445) has the molecular formula C7H11Br2N and a molecular weight of 268.98 g/mol. Its IUPAC name is (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine
PubChem CID142852445
Molecular FormulaC7H11Br2N
Molecular Weight268.98 g/mol
Exact Mass266.93
IUPAC Name(2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(NC)\C(Br)=C/CBr
InChIInChI=1S/C7H11Br2N/c1-3-7(10-2)6(9)4-5-8/h3-4,10H,5H2,1-2H3/b6-4+,7-3+
InChIKeyBUBWQRDNKAEYFQ-DVFLZCIWSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.98
LogP ≤ 52.78
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)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine (CID 142852445) is (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine is C/C=C(NC)\C(Br)=C/CBr.
What is the InChIKey of (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine?
The InChIKey is BUBWQRDNKAEYFQ-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H11Br2N/c1-3-7(10-2)6(9)4-5-8/h3-4,10H,5H2,1-2H3/b6-4+,7-3+.
What are the key properties of (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine?
(2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine has a molecular weight of 268.98 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 142852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).