(2E,4E)-4-bromohepta-2,4,6-trien-3-amine

C7H10BrN — CID 135198890

IUPAC(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
SMILESC=C/C=C(Br)\C(N)=C/C
InChIInChI=1S/C7H10BrN/c1-3-5-6(8)7(9)4-2/h3-5H,1,9H2,2H3/b6-5+,7-4+
InChIKeyGWCKTUBIQDXZQY-HVUXDCMCSA-N
MW188.07 g/mol
LogP2.31
Rot. Bonds2

About (2E,4E)-4-bromohepta-2,4,6-trien-3-amine

(2E,4E)-4-bromohepta-2,4,6-trien-3-amine (PubChem CID 135198890) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is (2E,4E)-4-bromohepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
PubChem CID135198890
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
SMILESC=C/C=C(Br)\C(N)=C/C
InChIInChI=1S/C7H10BrN/c1-3-5-6(8)7(9)4-2/h3-5H,1,9H2,2H3/b6-5+,7-4+
InChIKeyGWCKTUBIQDXZQY-HVUXDCMCSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

S-[(3E,5E)-5-aminohepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143851361
(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 143124692
(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
CID 142332735
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
(3E)-2-chlorohexa-1,3,5-trien-3-amine
CID 156824437
(5E)-5-[(E)-1-aminoprop-1-enyl]-2-methyl-3-methylideneocta-5,7-dien-4-one
CID 169195661
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340
(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine
CID 143142825
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-bromohepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4E)-4-bromohepta-2,4,6-trien-3-amine (CID 135198890) is (2E,4E)-4-bromohepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4E)-4-bromohepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4E)-4-bromohepta-2,4,6-trien-3-amine is C=C/C=C(Br)\C(N)=C/C.
What is the InChIKey of (2E,4E)-4-bromohepta-2,4,6-trien-3-amine?
The InChIKey is GWCKTUBIQDXZQY-HVUXDCMCSA-N. The full InChI is InChI=1S/C7H10BrN/c1-3-5-6(8)7(9)4-2/h3-5H,1,9H2,2H3/b6-5+,7-4+.
What are the key properties of (2E,4E)-4-bromohepta-2,4,6-trien-3-amine?
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine has a molecular weight of 188.07 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-bromohepta-2,4,6-trien-3-amine is sourced from PubChem (CID 135198890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).