(E)-3-bromo-2-methylpent-2-en-1-imine

C6H10BrN — CID 156729076

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

About (E)-3-bromo-2-methylpent-2-en-1-imine

(E)-3-bromo-2-methylpent-2-en-1-imine (PubChem CID 156729076) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is (E)-3-bromo-2-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-bromo-2-methylpent-2-en-1-imine
PubChem CID156729076
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name(E)-3-bromo-2-methylpent-2-en-1-imine
SMILES[H]/N=C/C(C)=C(/Br)CC
InChIInChI=1S/C6H10BrN/c1-3-6(7)5(2)4-8/h4,8H,3H2,1-2H3/b6-5+,8-4+
InChIKeyRIKZVITYMZUUMS-PTFSRLPTSA-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

3-methanimidoylpent-2-en-2-amine
CID 173477121
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235
(Z)-5-imino-3,4-dimethylpent-3-en-2-one
CID 145478376
(E)-3-methyl-2-propylpent-2-en-1-imine
CID 177362543
(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane
CID 155582695
(Z)-2-bromohept-2-en-1-imine
CID 166655516
4-methanimidoylhex-4-en-3-one
CID 155692065
(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
2-N-propan-2-ylbutane-1,2-diimine
CID 123596480
(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
CID 138494852
methanimine;2-methylprop-2-en-1-imine
CID 145055297

Frequently Asked Questions

What is the IUPAC name of (E)-3-bromo-2-methylpent-2-en-1-imine?
The IUPAC name of (E)-3-bromo-2-methylpent-2-en-1-imine (CID 156729076) is (E)-3-bromo-2-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-3-bromo-2-methylpent-2-en-1-imine?
The canonical SMILES for (E)-3-bromo-2-methylpent-2-en-1-imine is [H]/N=C/C(C)=C(/Br)CC.
What is the InChIKey of (E)-3-bromo-2-methylpent-2-en-1-imine?
The InChIKey is RIKZVITYMZUUMS-PTFSRLPTSA-N. The full InChI is InChI=1S/C6H10BrN/c1-3-6(7)5(2)4-8/h4,8H,3H2,1-2H3/b6-5+,8-4+.
What are the key properties of (E)-3-bromo-2-methylpent-2-en-1-imine?
(E)-3-bromo-2-methylpent-2-en-1-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)-3-bromo-2-methylpent-2-en-1-imine is sourced from PubChem (CID 156729076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).