(4Z,6E)-7-bromohepta-4,6-dien-2-amine

C7H12BrN — CID 135199063

IUPAC(4Z,6E)-7-bromohepta-4,6-dien-2-amine
SMILESCC(N)C/C=C\C=C\Br
InChIInChI=1S/C7H12BrN/c1-7(9)5-3-2-4-6-8/h2-4,6-7H,5,9H2,1H3/b3-2-,6-4+
InChIKeyTWSZXVFNCZZHPP-MGLVMYNNSA-N
MW190.08 g/mol
LogP2.19
Rot. Bonds3

About (4Z,6E)-7-bromohepta-4,6-dien-2-amine

(4Z,6E)-7-bromohepta-4,6-dien-2-amine (PubChem CID 135199063) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is (4Z,6E)-7-bromohepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z,6E)-7-bromohepta-4,6-dien-2-amine
PubChem CID135199063
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name(4Z,6E)-7-bromohepta-4,6-dien-2-amine
SMILESCC(N)C/C=C\C=C\Br
InChIInChI=1S/C7H12BrN/c1-7(9)5-3-2-4-6-8/h2-4,6-7H,5,9H2,1H3/b3-2-,6-4+
InChIKeyTWSZXVFNCZZHPP-MGLVMYNNSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7-bromohepta-4,6-dien-2-amine?
The IUPAC name of (4Z,6E)-7-bromohepta-4,6-dien-2-amine (CID 135199063) is (4Z,6E)-7-bromohepta-4,6-dien-2-amine.
What is the SMILES notation for (4Z,6E)-7-bromohepta-4,6-dien-2-amine?
The canonical SMILES for (4Z,6E)-7-bromohepta-4,6-dien-2-amine is CC(N)C/C=C\C=C\Br.
What is the InChIKey of (4Z,6E)-7-bromohepta-4,6-dien-2-amine?
The InChIKey is TWSZXVFNCZZHPP-MGLVMYNNSA-N. The full InChI is InChI=1S/C7H12BrN/c1-7(9)5-3-2-4-6-8/h2-4,6-7H,5,9H2,1H3/b3-2-,6-4+.
What are the key properties of (4Z,6E)-7-bromohepta-4,6-dien-2-amine?
(4Z,6E)-7-bromohepta-4,6-dien-2-amine has a molecular weight of 190.08 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-bromohepta-4,6-dien-2-amine is sourced from PubChem (CID 135199063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).