(3Z,5E)-6-bromohexa-3,5-dien-2-imine

C6H8BrN — CID 142984206

IUPAC(3Z,5E)-6-bromohexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C=C\Br
InChIInChI=1S/C6H8BrN/c1-6(8)4-2-3-5-7/h2-5,8H,1H3/b4-2-,5-3+,8-6+
InChIKeyLGDYTMMAHDTHAS-ZNSFGXPESA-N
MW174.04 g/mol
LogP2.49
Rot. Bonds2

About (3Z,5E)-6-bromohexa-3,5-dien-2-imine

(3Z,5E)-6-bromohexa-3,5-dien-2-imine (PubChem CID 142984206) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is (3Z,5E)-6-bromohexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-6-bromohexa-3,5-dien-2-imine
PubChem CID142984206
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name(3Z,5E)-6-bromohexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C=C\Br
InChIInChI=1S/C6H8BrN/c1-6(8)4-2-3-5-7/h2-5,8H,1H3/b4-2-,5-3+,8-6+
InChIKeyLGDYTMMAHDTHAS-ZNSFGXPESA-N
XLogP2.49
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-bromo-2-fluorohex-4-en-3-imine
CID 90706546
(3Z,5Z)-hepta-3,5-dien-2-imine
CID 89583261
(3Z)-hexa-3,5-dien-2-imine
CID 90711879
Nona-1,3,6-trien-5-imine
CID 91044279
(2E,5Z,7Z)-nona-2,5,7-trien-4-imine
CID 117646087
(3Z,5Z)-octa-3,5,7-trien-2-imine
CID 123428280
Hexa-3,5-dien-2-imine
CID 123448446
(3Z)-hepta-3,5-dien-2-imine
CID 123496221
(Z)-1-bromohex-3-en-2-imine
CID 123501839
(E)-4-bromopent-3-en-2-imine
CID 123619125
(4Z)-octa-1,4,6-trien-3-imine
CID 123643929
(3Z)-5-bromohexa-3,5-dien-2-imine
CID 123659221

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-bromohexa-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-6-bromohexa-3,5-dien-2-imine (CID 142984206) is (3Z,5E)-6-bromohexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-6-bromohexa-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-6-bromohexa-3,5-dien-2-imine is [H]/N=C(C)/C=C\C=C\Br.
What is the InChIKey of (3Z,5E)-6-bromohexa-3,5-dien-2-imine?
The InChIKey is LGDYTMMAHDTHAS-ZNSFGXPESA-N. The full InChI is InChI=1S/C6H8BrN/c1-6(8)4-2-3-5-7/h2-5,8H,1H3/b4-2-,5-3+,8-6+.
What are the key properties of (3Z,5E)-6-bromohexa-3,5-dien-2-imine?
(3Z,5E)-6-bromohexa-3,5-dien-2-imine has a molecular weight of 174.04 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-bromohexa-3,5-dien-2-imine is sourced from PubChem (CID 142984206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).