(E)-4-bromohex-3-en-2-imine

C6H10BrN — CID 123781067

IUPAC(E)-4-bromohex-3-en-2-imine
SMILES[H]/N=C(C)/C=C(/Br)CC
InChIInChI=1S/C6H10BrN/c1-3-6(7)4-5(2)8/h4,8H,3H2,1-2H3/b6-4+,8-5+
InChIKeyKLVIYFBCSMHFPF-HLQBBKRNSA-N
MW176.06 g/mol
LogP2.71
Rot. Bonds2

About (E)-4-bromohex-3-en-2-imine

(E)-4-bromohex-3-en-2-imine (PubChem CID 123781067) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is (E)-4-bromohex-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-bromohex-3-en-2-imine
PubChem CID123781067
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name(E)-4-bromohex-3-en-2-imine
SMILES[H]/N=C(C)/C=C(/Br)CC
InChIInChI=1S/C6H10BrN/c1-3-6(7)4-5(2)8/h4,8H,3H2,1-2H3/b6-4+,8-5+
InChIKeyKLVIYFBCSMHFPF-HLQBBKRNSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-bromohept-5-ene-3,4-diimine
CID 91036194
4-Bromohept-3-en-2-imine
CID 91351423
(E)-3-bromopent-3-en-2-imine
CID 91552796
(Z)-3-bromopent-3-en-2-imine
CID 123224125
(4E)-4-bromohexa-1,4-dien-3-imine
CID 123376670
4-Bromo-3,6-dimethylhepta-3,6-dien-2-imine
CID 123383814
(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine
CID 123390438
(E)-4-bromohex-3-ene-1,2-diimine
CID 123403340
(Z)-1-bromohex-3-en-2-imine
CID 123501839
(E)-4-bromopent-3-en-2-imine
CID 123619125
(3Z)-5-bromohexa-3,5-dien-2-imine
CID 123659221
(E)-3-bromohex-3-en-2-imine
CID 123684921

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromohex-3-en-2-imine?
The IUPAC name of (E)-4-bromohex-3-en-2-imine (CID 123781067) is (E)-4-bromohex-3-en-2-imine.
What is the SMILES notation for (E)-4-bromohex-3-en-2-imine?
The canonical SMILES for (E)-4-bromohex-3-en-2-imine is [H]/N=C(C)/C=C(/Br)CC.
What is the InChIKey of (E)-4-bromohex-3-en-2-imine?
The InChIKey is KLVIYFBCSMHFPF-HLQBBKRNSA-N. The full InChI is InChI=1S/C6H10BrN/c1-3-6(7)4-5(2)8/h4,8H,3H2,1-2H3/b6-4+,8-5+.
What are the key properties of (E)-4-bromohex-3-en-2-imine?
(E)-4-bromohex-3-en-2-imine has a molecular weight of 176.06 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromohex-3-en-2-imine is sourced from PubChem (CID 123781067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).